data_1ujy_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 1ujy _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.99 124.32 48.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mp -92.74 112.6 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.33 134.94 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.8 tppt? -92.95 144.29 25.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 168.01 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -103.97 -58.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.77 -175.01 4.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -59.45 103.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -114.98 113.85 24.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -89.54 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 10.8 pt20 -84.15 138.36 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 p -74.27 -26.05 59.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -158.03 160.63 37.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 12.1 pt-20 -63.26 -24.59 67.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -37.33 84.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.54 ' OE1' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -86.47 177.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.25 170.88 9.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.24 122.59 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.55 154.1 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.31 -79.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.81 144.73 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.52 64.39 3.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -142.75 91.62 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.495 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -56.62 129.02 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mt -114.13 148.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.1 m-85 -106.22 111.53 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.474 HG13 ' CG2' ' A' ' 40' ' ' VAL . 10.4 t -83.79 120.34 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.26 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.379 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.9 tpm_? -70.83 -72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' CG2' HG13 ' A' ' 37' ' ' VAL . 18.8 t 75.39 77.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.55 151.42 22.9 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.13 -4.35 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.16 91.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.0 -30.75 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' OE1' ' A' ' 26' ' ' GLU . 56.9 m95 -100.79 156.82 17.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.1 OUTLIER -133.03 125.37 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.5 tt0 -97.31 121.72 39.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.97 -157.54 7.19 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.43 132.96 25.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLY . 64.2 tp -109.98 167.63 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.444 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 50.2 m-80 -47.2 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.25 26.51 74.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.69 166.68 22.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 18.9 m -160.21 170.45 21.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 128.02 -173.11 18.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 31.1 m95 -98.8 157.68 16.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -165.05 161.03 14.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.577 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.5 p -75.7 -42.17 51.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -51.54 -36.85 46.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.5 m-85 -67.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -64.03 157.69 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.77 159.59 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER -107.07 138.13 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 13.2 mm -101.95 -53.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 122.86 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.47 -13.19 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.948 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 -9.24 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -117.17 126.41 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.38 110.34 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 16.2 m -130.42 146.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.4 tppt? -106.28 144.49 32.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.72 175.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -111.12 -53.19 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 8.6 p90 -147.75 172.51 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.05 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -108.38 118.34 36.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.41 138.23 32.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.615 1.197 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.84 145.14 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.81 -24.34 41.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -157.68 -177.03 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -18.21 52.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.93 10.46 21.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 56' ' ' TRP . 16.8 tt0 -115.53 152.56 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -77.23 121.33 23.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -102.82 105.84 16.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.1 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.78 143.29 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -77.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.31 138.35 12.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.97 62.94 5.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 4.7 m-20 -141.4 92.29 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -56.74 136.1 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.572 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.2 mt -121.22 144.39 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.7 m-85 -101.09 111.4 23.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.09 116.84 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.66 -44.71 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.2 tpm_? -65.45 -70.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 48.0 t 68.97 78.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.5 mm-40 -108.28 152.02 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -100.88 -5.28 26.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.2 -48.53 53.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.1 -31.08 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -100.79 167.68 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -140.8 121.27 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.2 tt0 -94.68 137.78 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -152.37 -159.06 8.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.079 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.61 127.1 16.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.3 tp -107.28 167.2 10.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 38.9 m-80 -46.02 91.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 31.09 77.27 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.66 165.88 25.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 14.8 m -160.48 165.04 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' HD21 ' A' ' 27' ' ' LEU . . . 140.59 -177.3 20.89 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 26.9 m95 -105.79 130.98 53.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE2' HG21 ' A' ' 35' ' ' ILE . 41.9 p90 -136.86 160.58 65.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 124.84 8.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.597 1.841 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 91.0 p -81.94 -23.69 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -35.57 81.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.7 m-85 -72.59 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.93 168.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.3 ttp180 -118.12 148.06 42.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -89.69 147.59 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.24 -54.88 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -53.91 112.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.4 m -77.92 -20.54 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.5 -9.3 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' OE1' ' CA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.99 120.36 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -89.51 111.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 24.5 m -135.8 129.13 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 4.4 tppt? -82.9 137.11 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.456 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -55.97 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -130.91 -49.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 22.2 p90 -146.71 -173.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.573 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 47.6 m-20 -72.89 110.67 7.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.479 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 37.4 t80 -97.45 148.3 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.34 117.96 27.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.64 139.12 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -10.79 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -175.75 163.35 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.07 -13.83 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.8 -37.95 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -78.84 -178.49 6.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -100.36 164.47 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.415 ' N ' HD21 ' A' ' 27' ' ' LEU . 29.0 t -139.18 140.81 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 19' ' ' PHE . 12.3 p -144.51 153.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 19.5 t -112.84 -79.19 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.42 150.84 23.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.59 57.98 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -134.94 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -52.57 130.58 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.69 136.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.1 m-85 -91.13 111.09 22.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 12.7 t -83.2 120.34 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.3 -44.82 4.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.454 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.4 ttm180 -69.34 -72.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 21.7 t 75.91 78.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.0 mm-40 -104.23 150.88 24.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -2.91 32.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.11 93.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.49 -31.29 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 56.4 m95 -100.7 158.63 15.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.671 ' CE3' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -133.14 125.84 30.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 108.072 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.8 tt0 -98.65 120.6 39.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.17 -156.59 6.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.47 132.46 29.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 0.755 . . . . 0.0 110.465 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' GLY . 64.2 tp -110.24 167.18 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 48.3 m-80 -46.57 92.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.31 30.2 75.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -136.79 168.54 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 21.7 m -159.86 170.88 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 127.57 -159.11 21.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.43 151.14 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -157.3 162.92 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.4 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.671 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 83.7 p -91.03 -12.52 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -76.75 -51.13 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.0 -44.33 82.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 m -76.77 169.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -113.54 145.38 41.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.405 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 24.1 tt0 -90.22 149.84 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.11 -62.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.48 122.43 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -85.09 -21.87 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -82.02 -9.28 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.084 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.558 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.57 123.43 46.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -89.87 110.42 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -133.55 132.77 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.3 tppt? -94.19 143.96 25.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -59.76 -178.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -121.73 -53.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.6 p90 -147.52 167.12 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 10.9 m120 -47.19 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 1.203 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -111.46 110.09 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -84.42 139.11 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.6 pt20 -76.51 146.37 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -78.26 -12.88 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 29.2 m-20 -174.29 170.04 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -4.9 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -81.77 -41.14 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.595 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -78.57 179.78 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.05 167.68 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -135.58 122.3 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.2 156.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.41 -88.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 144.33 31.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 49.74 64.54 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 2.4 m-20 -142.28 91.53 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -58.2 132.49 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.426 HG23 ' CE2' ' A' ' 57' ' ' PHE . 1.9 mt -119.78 135.19 60.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.4 m-85 -93.98 111.1 22.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 t -81.49 119.33 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -44.68 4.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -68.97 -72.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 21.5 t 75.61 78.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.3 mm-40 -104.12 151.05 23.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.31 -4.39 29.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.08 -46.33 91.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.36 -30.69 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 0.833 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.595 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 48.7 m95 -100.83 158.76 15.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.558 ' CH2' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -133.3 127.3 33.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 107.992 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.0 tt0 -100.35 120.48 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -139.42 -155.38 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.06 133.92 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.376 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.1 tp -111.72 167.34 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.418 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 49.9 m-80 -45.73 93.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 64.7 28.75 73.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.97 169.71 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.61 169.07 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 131.91 -168.94 22.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.6 m95 -106.12 166.14 10.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' A' ' 35' ' ' ILE . 44.9 p90 -172.11 161.71 4.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.06 123.66 8.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 p -81.58 -22.63 37.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.06 -36.41 77.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.8 m-85 -68.72 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 4.0 m -63.32 153.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' LYS . 10.2 ttt180 -96.4 157.16 16.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -100.44 137.71 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 32.1 mm -103.49 -41.14 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 109.56 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -12.87 57.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -92.9 -9.35 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -105.62 120.29 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -90.36 108.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 ' CG1' HD21 ' A' ' 11' ' ' LEU . 11.5 m -130.95 142.5 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.2 tppt? -104.96 142.43 34.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -60.79 178.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -114.81 -52.33 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 17.3 p90 -147.89 178.99 8.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 57.0 m-20 -54.61 109.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -115.17 129.58 56.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -102.44 139.75 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 11.5 pt20 -85.24 144.15 28.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -70.75 -19.5 62.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 34.5 m-20 -174.0 159.83 3.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 11.6 pt-20 -56.2 -20.16 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -65.93 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -81.4 175.86 10.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 110.246 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.09 163.02 15.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -141.49 133.22 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -140.17 150.26 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.05 -77.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 148.81 27.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.63 65.0 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 10.8 m-20 -137.25 87.61 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -54.41 126.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.75 146.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.7 m-85 -106.2 111.04 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 10.7 t -82.96 120.76 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.15 -43.98 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -71.57 -73.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 18.1 t 77.41 78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.6 mm-40 -103.84 150.04 24.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.49 -0.27 38.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.82 95.8 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.15 -32.17 0.36 Allowed Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 59.9 m95 -100.6 157.99 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.96 125.38 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.063 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.6 tt0 -97.52 122.76 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.91 -157.1 7.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.76 133.68 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.1 tp -111.89 167.29 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 41.6 m-80 -46.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 68.37 27.9 73.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -136.11 166.3 23.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.3 t -160.56 170.92 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.452 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 127.53 -173.63 18.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 32.7 m95 -98.73 156.59 16.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -162.64 161.28 19.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.69 8.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.0 t -84.88 -16.59 40.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -71.57 -41.38 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -64.1 -61.78 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 3.3 m -62.75 -177.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -132.82 144.23 50.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 24.4 tt0 -89.67 146.94 24.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 34' ' ' ILE . 11.9 mt -105.34 -58.45 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -46.67 134.17 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -26.98 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -75.86 -9.47 58.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -109.31 118.72 37.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.05 103.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.8 m -125.11 135.47 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -93.55 136.95 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -57.24 162.84 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -102.08 -46.99 4.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 26.5 p90 -147.98 -171.56 3.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 5.5 t-20 -73.78 105.41 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.443 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.8 t80 -96.91 138.37 34.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 117.61 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.7 pt20 -67.47 141.33 56.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.87 -12.22 59.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.8 m120 -168.38 169.51 10.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -5.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.37 -37.86 25.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -178.2 5.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -98.28 162.6 13.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.41 ' N ' HD21 ' A' ' 27' ' ' LEU . 30.7 t -138.11 139.95 39.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 15' ' ' ALA . 8.0 p -146.47 156.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.3 t -113.73 -86.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 143.65 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.27 63.94 4.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -141.47 89.94 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.493 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -52.81 126.99 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.02 150.23 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 34.6 m-85 -107.79 111.07 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.404 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 10.8 t -84.4 120.33 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.37 -44.55 4.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.7 ttm180 -69.45 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 21.6 t 75.74 75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -100.15 149.23 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.81 0.46 41.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.01 -44.65 97.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.51 -31.94 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -100.95 156.83 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.13 131.11 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 7.3 tt0 -103.27 121.47 42.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.37 -158.65 7.62 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.01 132.32 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.423 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.2 tp -111.13 167.38 10.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 m-80 -45.99 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.86 29.64 74.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -135.78 166.97 22.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 0.793 . . . . 0.0 110.36 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -160.16 170.59 20.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.51 -158.7 21.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 26.2 m95 -112.84 152.59 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -158.15 161.74 28.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.496 ' OG ' ' CE3' ' A' ' 46' ' ' TRP . 5.7 t -92.14 -53.69 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' SER . 7.8 m-20 -39.8 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 37.4 m-85 -73.19 -59.65 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 10.1 m -65.13 150.2 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.04 159.17 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 1.0 OUTLIER -110.26 139.04 45.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 31.7 mm -99.43 -47.18 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 122.35 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.6 m -94.24 -11.43 30.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 -9.34 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -111.65 121.55 45.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 HG22 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -91.74 110.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.415 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 6.3 m -130.72 142.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.7 tppt? -102.75 141.02 36.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -176.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.381 1.05 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.07 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 13.3 p90 -146.12 177.08 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 23.1 m-80 -58.77 101.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -103.32 146.5 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.67 133.16 56.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -78.91 146.71 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -80.81 -23.45 39.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -157.83 175.67 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -10.9 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.59 10.84 37.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.94 150.36 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -77.51 117.96 19.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.11 111.42 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.28 150.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -112.16 -79.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 138.23 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.73 63.11 5.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.52 91.83 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.483 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -58.09 134.67 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.553 HG22 ' CE2' ' A' ' 57' ' ' PHE . 1.4 mt -120.01 148.27 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.9 m-85 -105.06 110.74 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.47 HG13 ' CG2' ' A' ' 40' ' ' VAL . 13.1 t -82.59 117.97 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.14 -44.5 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.9 tpm_? -68.5 -69.81 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 37' ' ' VAL . 34.2 t 72.33 75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.14 119.41 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.61 0.04 21.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.41 -47.2 92.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.38 -37.15 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -100.35 163.18 12.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 59' ' ' SER . 0.0 OUTLIER -135.81 125.48 25.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.5 tt0 -99.13 121.81 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.57 -159.27 8.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.25 128.17 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.383 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.2 tp -108.99 167.89 9.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 6.0 p30 -45.25 91.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.09 28.95 74.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 5.1 mtt85 -135.98 159.05 42.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 56.5 m -157.62 148.77 21.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' HD21 ' A' ' 27' ' ' LEU . . . 160.15 -171.18 36.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.405 1.066 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 30.3 m95 -109.55 130.56 55.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 35' ' ' ILE . 47.6 p90 -139.8 160.32 61.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.81 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 47.8 t -81.72 -21.98 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.61 -39.29 91.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.19 -62.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.9 m -61.01 -177.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -129.94 134.98 47.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 22.8 tt0 -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 34' ' ' ILE . 5.5 mt -105.48 -58.82 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -44.4 112.57 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -80.93 -15.8 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -85.32 -9.37 57.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -123.83 121.14 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.474 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.7 mp -91.58 111.6 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 62' ' ' VAL . 5.3 m -132.17 131.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -86.76 132.98 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -54.58 151.13 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 61' ' ' TYR . 2.2 ttt85 -81.7 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' CYS . 38.9 p90 -148.53 -169.57 3.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.99 121.19 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 73.8 t80 -132.07 104.68 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -77.54 136.69 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 10.6 pt20 -83.97 148.0 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 p -84.71 -23.02 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 20.7 m-80 -156.03 173.43 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -71.6 -20.42 61.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.81 7.5 20.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -110.82 149.52 30.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -77.3 117.0 18.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.448 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 1.2 p -97.56 112.24 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 35' ' ' ILE . 24.4 m -125.06 137.42 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -102.71 -72.09 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.57 149.19 13.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.49 59.59 5.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.3 m-20 -138.68 88.85 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.479 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -57.29 130.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 29' ' ' VAL . 1.6 mp -115.29 140.2 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.511 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 35.5 m-85 -93.89 110.82 22.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG1' HG22 ' A' ' 40' ' ' VAL . 14.7 t -81.81 118.59 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.91 -43.49 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 3.5 ttt180 -70.95 -72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG22 ' CG1' ' A' ' 37' ' ' VAL . 20.9 t 76.49 78.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 mm-40 -103.74 149.9 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.61 -1.8 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.54 -46.08 94.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.47 -32.17 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -100.6 160.26 14.5 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -133.83 127.93 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.038 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 4.5 tt0 -99.61 119.33 37.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.18 -159.7 8.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.42 131.85 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.417 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.1 tp -110.75 166.79 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.407 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 45.9 m-80 -42.7 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 60.29 38.47 94.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -135.7 171.0 15.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -158.86 163.55 36.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' N ' HD22 ' A' ' 27' ' ' LEU . . . 130.59 -171.25 20.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.549 1.156 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 20.8 m95 -107.74 173.36 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CE2' HG21 ' A' ' 35' ' ' ILE . 23.7 p90 -175.89 159.28 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.04 127.5 10.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.3 p -89.45 -28.0 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -42.4 -33.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -95.94 -57.99 2.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.456 1.098 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -43.36 117.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.8 tpt180 -82.39 143.55 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.31 152.61 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.92 -55.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -48.42 129.59 15.99 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -13.49 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -9.31 31.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.02 121.7 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.223 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp -91.52 106.56 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.7 142.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.3 tppt? -98.36 141.25 31.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -68.86 155.59 39.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -82.21 -60.75 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' CYS . 44.9 p90 -148.66 -169.35 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -59.44 109.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 50.7 t80 -106.82 134.4 50.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -104.72 127.87 52.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.9 pt20 -79.49 143.22 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -71.93 -15.56 62.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.7 m120 -175.55 160.48 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.4 -16.76 10.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.95 -37.22 72.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -82.03 179.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -94.25 162.72 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -141.85 126.54 18.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 19' ' ' PHE . 9.8 p -129.06 156.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -111.03 -75.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 153.32 14.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.47 63.75 1.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -139.34 90.08 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -52.45 125.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 33' ' ' ASP . 2.1 mp -112.01 143.76 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.541 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.9 m-85 -99.63 110.57 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.407 ' CG1' HG22 ' A' ' 40' ' ' VAL . 9.9 t -83.05 118.11 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -107.21 -45.0 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.1 tpm_? -67.54 -69.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 40.4 t 71.33 76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.61 117.96 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.15 -3.62 27.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.95 -47.24 88.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.22 -34.97 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 61.9 m95 -100.45 157.13 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.82 120.31 21.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 2.2 tt0 -95.21 125.1 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.5 -158.8 7.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -137.88 127.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.2 tp -106.99 167.15 10.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.423 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 41.0 m-80 -46.18 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.81 28.42 73.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -134.68 166.06 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 53' ' ' ARG . 9.2 m -158.27 170.88 21.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 130.85 -159.11 22.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 21.3 m95 -118.45 141.85 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 46' ' ' TRP . 3.1 p90 -144.37 161.45 44.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.03 112.6 3.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 65.8 p -75.56 -37.05 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -38.31 54.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -72.9 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 5.1 m -63.31 149.36 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 62.5 ttt180 -94.47 146.79 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -95.59 149.03 21.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mm -106.49 -64.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -42.03 115.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.5 p -87.02 -8.72 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.4 p -94.0 -9.32 37.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.591 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.25 118.14 35.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' CG2' HG12 ' A' ' 34' ' ' ILE . 2.7 mp -89.93 111.22 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 28.8 m -136.19 130.11 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 4.2 tppt? -81.9 140.73 33.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -59.73 -178.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -123.23 -48.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 24.0 p90 -147.67 -170.67 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.539 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 10.9 m-20 -77.11 106.47 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 26.3 t80 -94.05 148.53 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -122.02 115.46 22.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 9.6 pt20 -68.48 143.96 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.91 -14.17 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.436 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 37.8 m-20 -172.01 172.66 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -72.47 -8.49 55.37 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -30.15 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 1.9 tt0 -86.98 -170.44 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -109.57 160.61 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 27' ' ' LEU . 48.4 t -136.58 144.46 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 19' ' ' PHE . 11.9 p -147.01 149.72 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -78.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.257 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 152.66 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.04 59.07 3.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 3.2 m-20 -136.79 86.85 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.73 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.14 133.11 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.68 140.98 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.535 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.7 m-85 -95.65 110.27 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 40' ' ' VAL . 12.4 t -82.29 125.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -49.32 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 8.5 ttm180 -71.43 -68.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.481 HG22 ' CG1' ' A' ' 37' ' ' VAL . 14.8 t 76.0 74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 mt-10 -105.43 120.77 42.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.52 1.15 20.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.057 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.47 -49.89 58.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.52 -44.39 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.552 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 45.3 m95 -100.44 173.77 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -139.57 133.17 30.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.967 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.0 tt0 -102.58 110.9 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.0 -158.29 8.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -141.93 136.24 30.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 110.424 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' GLY . 59.7 tp -112.9 168.33 9.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.412 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 46.5 m-80 -45.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.9 32.22 80.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 3.1 mtt85 -137.22 167.02 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -159.85 168.57 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.472 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 126.25 -163.56 20.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 40.3 m95 -103.67 158.45 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -162.73 162.93 18.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.09 121.83 6.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.506 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.4 p -90.54 -53.98 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -41.3 -38.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 44.5 m-85 -67.67 -59.15 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 10.8 m -67.86 149.9 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -91.3 154.58 19.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 23.5 tt0 -97.92 149.77 22.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -108.44 -55.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -49.91 121.64 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -88.9 -17.22 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.387 1.055 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -87.2 -9.24 55.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.3 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -120.88 121.31 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.14 108.44 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.61 149.23 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.0 tppt? -108.65 145.97 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.37 157.59 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -61.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.8 p90 -148.62 -170.03 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -55.58 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -109.23 114.12 27.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 146.01 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.14 141.88 29.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -70.73 -21.47 62.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -167.3 158.83 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -26.91 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -46.47 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.91 178.87 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -93.02 164.64 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.26 135.7 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 35' ' ' ILE . 0.7 OUTLIER -140.1 161.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' PHE . 38.3 t -115.99 -76.94 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -174.68 132.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 59.57 52.68 51.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -114.77 -31.67 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.505 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 72.68 122.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.4 ' CD1' HG13 ' A' ' 29' ' ' VAL . 1.9 mp -117.7 149.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 109.205 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 40.9 m-85 -109.2 111.2 22.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG13 ' CG2' ' A' ' 40' ' ' VAL . 4.9 t -81.86 122.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.55 -46.72 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' CD ' ' CH2' ' A' ' 56' ' ' TRP . 35.1 ttm-85 -69.37 -70.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG2' HG13 ' A' ' 37' ' ' VAL . 24.3 t 71.99 77.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 39' ' ' ARG . 7.9 mm-40 -110.69 162.43 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.8 pt-20 -103.59 -16.05 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -36.31 -52.59 1.31 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.83 -33.93 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -105.54 161.39 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.8 128.4 45.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.037 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 15.4 tt0 -98.25 122.28 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.69 -159.04 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.07 136.39 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLY . 61.6 tp -116.82 167.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.413 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 51.4 m-80 -44.44 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.01 31.69 81.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -134.25 168.54 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 t -159.95 170.33 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.435 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 128.97 -163.28 22.37 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 39' ' ' ARG . 18.9 m95 -112.37 170.99 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -175.48 161.12 2.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.94 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.511 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 87.9 p -73.62 -23.81 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.07 -35.64 81.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.4 m-85 -71.72 -62.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.07 145.26 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.13 162.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.44 138.15 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 27.4 mm -102.22 -49.0 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.98 121.85 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -91.65 -13.65 31.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.092 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -95.28 -9.32 33.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.572 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.3 121.8 44.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.78 112.64 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -135.45 137.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' CA ' HD12 ' A' ' 34' ' ' ILE . 5.5 tppt? -94.25 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.46 146.53 54.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -72.75 -67.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.3 p90 -147.62 -170.83 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.22 112.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 19.8 t80 -126.79 96.14 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.6 132.95 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt20 -77.7 142.1 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -75.37 -12.12 60.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 25.9 m120 -157.52 150.92 23.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -8.58 31.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.77 -30.99 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 3.1 tt0 -71.7 175.96 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -83.86 125.98 32.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -110.9 108.3 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -118.49 148.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' PHE . 3.0 t -111.48 -68.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 108.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 144.7 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.89 64.16 3.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.456 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 42.6 m-20 -143.68 94.66 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 HD12 ' CA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.91 139.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.5 mt -125.61 149.42 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 33.8 m-85 -107.79 110.71 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.2 120.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.55 -44.68 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 5.2 ttm180 -70.96 -73.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 17.2 t 77.9 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 1.5 mm-40 -100.26 148.54 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.26 -1.56 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 -45.17 97.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.98 -31.11 0.4 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -100.96 157.8 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CE3' ' CB ' ' A' ' 59' ' ' SER . 0.1 OUTLIER -132.21 132.89 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.7 tt0 -106.83 115.85 30.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.07 -153.72 7.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -143.46 132.46 22.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 52' ' ' GLY . 60.8 tp -109.94 166.82 10.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.411 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 40.4 m-80 -45.07 92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 65.57 33.88 87.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.93 169.06 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.55 165.33 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.454 ' N ' HD21 ' A' ' 27' ' ' LEU . . . 133.84 -160.05 23.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.51 175.19 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' CE2' HG21 ' A' ' 35' ' ' ILE . 16.8 p90 178.99 160.43 0.7 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.6 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.588 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 86.2 p -72.85 -32.29 65.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -35.96 77.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.9 m-85 -70.56 -59.5 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.08 -179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -118.71 145.36 45.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.5 OUTLIER -92.47 138.52 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 24.2 mm -105.14 -34.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -86.54 119.44 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -82.63 -25.69 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -11.23 60.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.481 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 23.7 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -122.37 124.65 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -94.84 111.92 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.44 133.57 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -90.19 130.42 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -50.33 159.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -89.62 -63.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.75 -175.49 5.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -53.5 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 58.7 t80 -105.46 144.3 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -112.77 133.09 54.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.91 144.0 37.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.1 p -76.39 -20.98 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.0 167.32 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.34 -6.11 48.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.11 -30.25 14.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -70.33 168.58 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.4 146.83 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 112.0 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.01 149.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.34 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.44 132.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.87 51.11 54.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 m-20 -133.03 88.27 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -55.91 135.47 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.26 138.1 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.521 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.6 m-85 -90.96 111.01 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.519 HG23 ' CE3' ' A' ' 46' ' ' TRP . 5.0 t -82.06 120.71 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 -44.1 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 3.5 tpt180 -72.82 -73.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 18.0 t 77.32 77.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -102.54 151.25 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.21 -2.5 33.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.63 95.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.3 -30.97 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 52.1 m95 -101.38 154.86 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -130.68 129.25 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.6 tt0 -100.45 113.12 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.39 -152.82 7.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -148.95 134.08 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.462 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.1 tp -112.36 168.59 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 40.4 m-80 -46.74 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 70.93 28.02 71.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.56 157.45 46.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.495 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 96.9 m -158.11 145.44 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 155.23 -158.14 28.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.7 m95 -108.62 168.56 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -174.18 161.03 2.89 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -74.98 125.05 9.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' ASN . 87.4 p -91.61 -31.37 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' SER . 63.0 m-20 -39.62 -35.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -96.28 -56.22 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -44.05 117.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.82 140.68 32.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.236 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -89.19 147.13 24.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mm -106.32 -56.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -49.76 119.95 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -89.33 -17.19 29.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -9.26 56.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.574 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.34 117.62 32.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.01 107.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.89 144.5 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.1 tppt? -107.69 141.61 38.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.64 170.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -109.0 -58.37 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.1 p90 -146.07 167.46 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -49.5 93.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.2 t80 -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 111.082 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.83 129.1 55.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 6.1 pt20 -72.26 142.09 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -74.99 -19.71 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -151.75 164.44 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.84 -9.51 58.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.27 -14.22 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -87.17 166.37 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -77.81 124.42 27.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.71 104.06 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -107.63 168.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -130.71 -64.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -175.37 140.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 44.44 60.37 3.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -36.18 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.505 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 72.22 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.02 136.6 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' THR . 47.3 m-85 -98.33 111.29 23.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 t -77.73 122.44 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.39 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.8 ttm180 -73.37 -73.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 16.3 t 79.52 77.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.8 mm-40 -103.76 151.07 23.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -4.4 29.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.06 -47.94 64.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.53 -33.86 0.29 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.548 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 58.5 m95 -100.88 164.22 11.93 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -136.01 133.28 37.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 10.7 tt0 -105.68 115.97 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.57 -152.24 7.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.27 134.03 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.438 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLY . 60.2 tp -112.98 167.83 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.409 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 49.6 m-80 -45.94 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.64 31.14 75.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 1.3 mtt85 -138.28 159.48 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.505 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 92.4 m -157.65 146.93 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.527 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 155.57 -162.29 31.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 38.0 m95 -107.96 163.37 13.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -170.78 161.85 5.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.91 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.9 p -79.1 -15.71 57.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.01 -35.41 66.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.9 m-85 -70.43 -63.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.14 -177.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -129.83 151.28 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -93.42 154.2 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.9 mm -110.38 -61.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 131.26 8.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -93.66 -12.65 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -9.32 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.366 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -113.04 122.02 46.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.49 111.39 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.1 m -135.89 139.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' CE ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -99.35 141.42 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 177.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -112.05 -53.64 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -147.52 175.03 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -57.39 95.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.31 154.81 17.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.84 132.31 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt20 -80.99 140.78 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 -17.37 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.402 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 19.4 m120 -164.36 153.73 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.88 -16.3 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -33.92 51.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -76.99 171.15 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.7 138.15 38.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -119.81 91.19 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' A' ' 35' ' ' ILE . 23.1 m -105.68 144.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.8 m -111.63 -79.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 136.65 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.4 62.3 6.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 22.6 m-20 -138.91 90.58 2.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.37 129.67 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.586 HG22 ' CE2' ' A' ' 57' ' ' PHE . 1.8 mt -118.74 140.18 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 m-85 -99.14 111.42 23.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 t -80.78 121.3 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -43.4 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.397 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -73.22 -73.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 16.4 t 78.52 77.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 4.2 mm-40 -103.19 150.04 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.45 -3.33 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.11 94.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.5 -31.44 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 55.3 m95 -101.12 158.2 16.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -133.22 130.43 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 9.4 tt0 -103.41 117.36 34.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -136.59 -155.55 7.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.2 tp -106.63 168.11 9.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 5.9 p30 -44.95 92.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 32.42 81.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.16 167.01 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 0.728 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.519 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 13.4 m -159.63 151.46 20.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.549 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 146.99 -171.67 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 35.2 m95 -99.51 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CE2' HG22 ' A' ' 35' ' ' ILE . 30.4 p90 -169.05 161.72 7.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.9 112.34 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.525 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 10.3 p -81.46 -34.65 31.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -51.8 -41.43 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 26.6 m-85 -68.98 -61.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.3 m -57.26 160.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 152.95 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 66' ' ' LYS . 31.3 tt0 -90.04 150.48 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.3 mm -110.77 -37.9 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -90.46 102.94 15.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 p -71.5 -20.35 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -9.58 58.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' CB ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.576 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.89 118.85 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.98 103.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 33.4 m -123.1 139.44 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' CA ' HD12 ' A' ' 34' ' ' ILE . 1.3 tppt? -101.2 144.88 29.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 161.91 29.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -62.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -149.78 176.13 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.55 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . 79.9 t80 -102.62 142.42 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -111.63 139.57 46.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' CG ' ' OG ' ' A' ' 28' ' ' SER . 7.2 pt20 -88.52 144.94 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.7 p -73.24 -18.82 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 10.2 m120 -153.94 155.2 35.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 53' ' ' ARG . 1.1 pm0 -67.29 -9.88 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.34 -33.3 22.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -71.44 -177.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.08 129.11 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -115.16 104.6 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.15 149.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.6 m -108.88 -86.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 129.46 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.19 60.58 6.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 44.5 m-20 -137.45 89.96 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 ' CA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.26 131.63 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 57' ' ' PHE . 1.7 mp -119.24 138.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 36.0 m-85 -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 40' ' ' VAL . 13.8 t -81.61 122.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -44.57 4.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -71.95 -73.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' CZ2' ' A' ' 46' ' ' TRP . 15.7 t 77.56 77.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.9 mm-40 -103.57 150.16 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.4 1.04 40.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.32 -45.54 95.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.595 1.184 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.6 -32.52 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.3 m95 -100.91 156.51 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.89 127.5 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 108.04 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.5 tt0 -98.5 118.09 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -135.43 -160.02 8.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.71 127.17 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.385 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLY . 66.4 tp -110.78 168.15 9.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 1.087 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 5.6 p30 -45.11 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 59.69 39.46 95.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -152.29 119.26 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.513 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 18.9 m -116.72 154.05 31.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.525 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 153.08 -176.43 31.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 38.2 m95 -96.8 168.77 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 35' ' ' ILE . 50.7 p90 -178.54 160.84 1.13 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 124.65 8.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.44 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 12.9 p -88.21 -38.77 15.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -50.14 -32.97 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.213 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 18.0 m-85 -77.64 -54.16 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.82 149.16 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -85.34 158.73 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.91 137.87 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 38.7 mm -100.26 -58.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.31 121.89 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -92.3 -12.6 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -9.25 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.28 122.71 46.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.421 1.075 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -89.09 110.03 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -133.44 135.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -94.72 140.77 29.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -65.95 162.47 19.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 1.3 ttm180 -90.03 -59.07 2.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' CYS . 37.0 p90 -148.71 -169.45 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -56.31 119.44 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -125.6 121.11 32.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 139.7 32.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -84.85 148.06 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -77.87 -20.58 52.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -165.38 172.59 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -13.49 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -27.07 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 2.9 tt0 -92.31 163.8 13.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -82.1 167.01 19.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 1.4 t -144.46 134.33 23.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 m -141.71 146.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -104.16 -77.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.73 147.09 21.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.65 62.68 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -137.22 88.64 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.483 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -53.46 129.94 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 mp -115.32 150.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 28.2 m-85 -108.69 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 t -82.34 120.42 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.23 -44.73 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 4.1 ttm180 -70.07 -74.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 18.9 t 78.22 77.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.7 mm-40 -103.97 149.89 24.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.4 -0.65 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.59 93.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.39 -31.92 0.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.607 0.828 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.539 ' CZ3' ' CD ' ' A' ' 26' ' ' GLU . 67.4 m95 -100.97 161.84 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -136.12 123.39 21.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 8.2 tt0 -96.0 122.17 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.32 -156.1 6.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.83 133.68 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.0 tp -111.4 167.6 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.429 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 57.2 m-80 -46.03 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.4 30.31 76.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -135.95 168.53 19.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 t -159.91 170.52 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 128.93 -172.93 19.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.0 m95 -101.51 156.47 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -163.18 161.78 18.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 127.67 10.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 88.4 p -85.65 -35.01 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -60.56 -39.1 86.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 9.1 m-85 -63.93 -58.65 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 11.9 m -67.32 161.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HG3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -98.76 155.37 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -100.26 138.28 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 44.5 mm -102.61 -36.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -82.42 108.71 16.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.8 p -76.64 -21.64 55.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.02 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.8 t -73.92 -9.71 58.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.95 121.92 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.54 104.4 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.5 m -123.72 141.77 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' CA ' HD11 ' A' ' 34' ' ' ILE . 7.7 tppt? -97.64 149.86 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -70.31 150.03 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -45.55 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 14.3 p90 -148.61 179.25 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.09 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 39.4 m-20 -69.1 107.74 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 51.5 t80 -96.64 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.92 124.22 48.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.81 147.71 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.061 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -90.53 -21.95 21.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -153.46 174.97 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -22.44 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -83.3 2.23 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.41 147.23 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 54' ' ' THR . 0.2 OUTLIER -77.07 117.07 18.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.31 102.78 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 15' ' ' ALA . 5.4 p -108.11 155.15 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 m -120.09 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.25 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -144.91 143.78 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.74 64.22 3.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -141.59 93.53 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 HD11 ' CA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -55.83 128.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 29' ' ' VAL . 2.1 mt -116.59 139.58 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.527 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 45.2 m-85 -95.68 111.4 23.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 4.2 t -83.59 119.87 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -44.54 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.2 tpm_? -69.02 -71.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 35.3 t 72.83 79.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.17 151.06 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -100.35 -4.14 29.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.51 -45.16 96.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.09 -30.5 0.43 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -100.76 154.36 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -130.69 131.11 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 107.974 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 3.8 tt0 -104.66 123.71 48.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.8 -151.93 5.84 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.56 1.162 . . . . 0.0 111.053 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.41 129.25 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLY . 64.6 tp -109.92 167.78 9.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 49.9 m-80 -46.39 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.45 30.11 71.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -139.45 158.59 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.712 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 48.4 m -159.25 151.34 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.434 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 151.97 -146.54 15.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 15.7 m95 -125.15 158.05 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -161.11 162.47 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.2 Cg_endo -75.08 116.7 4.65 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.566 1.824 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' TYR . 1.6 t -86.19 -36.71 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -39.98 -29.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' SER . 28.8 m-85 -96.84 -53.01 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -45.11 148.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.327 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.69 145.04 28.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -100.9 137.5 39.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 24.3 mm -103.46 -59.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.67 127.34 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -94.14 -17.18 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -96.18 -9.38 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.58 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -106.04 120.89 42.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.17 109.45 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 21.3 m -132.85 141.47 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.4 tppt? -97.96 139.52 33.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -55.58 164.35 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -97.25 -60.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.21 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 15.3 p90 -148.63 -175.55 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -56.94 105.48 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -115.24 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 141.79 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 10.0 pt20 -82.78 143.73 30.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 p -75.88 -16.74 60.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -171.99 162.72 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 9.3 pt-20 -62.62 -12.78 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -36.54 60.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.605 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -86.58 174.44 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -88.81 171.41 9.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.85 129.38 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.52 158.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.2 m -115.78 -83.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.244 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 138.29 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.65 62.85 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -143.34 92.82 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -56.48 132.54 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.23 140.08 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 38.3 m-85 -97.24 110.85 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 10.5 t -83.18 118.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.05 -45.19 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.5 tpm_? -66.8 -69.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.192 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 42.4 t 70.93 77.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.85 126.79 52.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.58 1.36 30.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.56 94.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.06 -35.37 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.605 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.5 m95 -100.58 157.84 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.21 128.78 38.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.7 tt0 -103.04 121.73 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.09 -161.5 8.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -136.66 125.85 24.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.1 tp -103.41 167.67 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 54.2 m-80 -46.68 91.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.37 26.73 74.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.06 166.48 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 t -159.88 170.31 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 131.52 -162.97 23.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 29.5 m95 -112.55 148.6 34.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -153.58 159.4 32.15 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.99 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -92.14 -26.33 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -47.46 -32.86 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -95.89 -54.67 3.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.88 139.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -89.35 142.73 27.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.24 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -94.04 139.31 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.498 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 46.9 mm -106.71 -47.87 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 5.5 ttpt -77.99 102.06 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -21.6 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -10.88 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.05 122.54 47.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mp -85.86 114.81 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.35 140.49 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' CD ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -94.84 154.58 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.82 151.33 24.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -63.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.1 p90 -148.29 -169.62 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -54.52 106.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -115.2 113.32 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -93.72 132.2 38.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -73.33 146.09 45.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -75.96 -15.54 60.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -169.4 161.33 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -20.6 65.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -45.6 87.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.192 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -179.85 6.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -95.94 158.63 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 13.1 t -133.35 137.56 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -139.96 169.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.3 m -126.89 -77.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.259 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -159.63 142.11 13.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.17 56.22 2.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -102.95 -27.84 12.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.552 HG12 ' CD ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 67.81 113.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 29' ' ' VAL . 1.7 mp -115.56 149.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.532 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 26.1 m-85 -108.6 110.24 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.8 t -82.36 120.42 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.6 -46.27 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 3.7 ttm180 -62.63 -75.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 ' CG1' ' A' ' 37' ' ' VAL . 47.9 t 69.19 83.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 39' ' ' ARG . 5.9 mm-40 -127.26 177.02 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 44' ' ' GLY . 6.2 pt-20 -103.64 -11.53 17.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -37.11 -30.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLU . . . 133.74 -36.5 2.11 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -100.61 174.93 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.78 123.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.2 tt0 -93.91 116.64 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -133.2 -161.95 9.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.72 136.88 29.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.42 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' GLY . 55.3 tp -116.69 168.22 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -43.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.31 36.2 93.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 3.6 mtt-85 -138.04 167.95 20.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -160.11 171.12 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.469 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 125.79 -173.62 17.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 110.961 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 33.1 m95 -101.0 173.81 6.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -179.09 160.9 1.0 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.9 t -79.87 -17.56 52.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.15 -30.88 67.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 6.0 m-85 -79.7 -53.08 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.51 139.18 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.1 ttt180 -82.57 156.28 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.09 147.65 26.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.1 mm -106.88 -49.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -59.52 119.93 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -12.53 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -91.56 -9.33 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -145.22 -58.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.19 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -153.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.14 80.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -79.25 110.45 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.028 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.1 -80.4 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -157.02 128.31 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.559 ' CD2' ' HA ' ' A' ' 74' ' ' SER . 1.7 t60 -101.98 18.71 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -41.34 137.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.99 124.32 48.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mp -92.74 112.6 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.33 134.94 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.8 tppt? -92.95 144.29 25.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 168.01 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -103.97 -58.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.77 -175.01 4.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -59.45 103.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -114.98 113.85 24.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -89.54 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 10.8 pt20 -84.15 138.36 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 p -74.27 -26.05 59.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -158.03 160.63 37.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 12.1 pt-20 -63.26 -24.59 67.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -37.33 84.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' OE1' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -86.47 177.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.25 170.88 9.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.24 122.59 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.55 154.1 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.31 -79.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.81 144.73 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.52 64.39 3.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.423 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -142.75 91.62 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.495 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -56.62 129.02 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mt -114.13 148.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.294 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.1 m-85 -106.22 111.53 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.474 HG13 ' CG2' ' A' ' 40' ' ' VAL . 10.4 t -83.79 120.34 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.26 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.379 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.9 tpm_? -70.83 -72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' CG2' HG13 ' A' ' 37' ' ' VAL . 18.8 t 75.39 77.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.55 151.42 22.9 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.13 -4.35 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.16 91.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.0 -30.75 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' OE1' ' A' ' 26' ' ' GLU . 56.9 m95 -100.79 156.82 17.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.1 OUTLIER -133.03 125.37 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.5 tt0 -97.31 121.72 39.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.97 -157.54 7.19 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.43 132.96 25.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 52' ' ' GLY . 64.2 tp -109.98 167.63 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.444 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 50.2 m-80 -47.2 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.25 26.51 74.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.69 166.68 22.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 18.9 m -160.21 170.45 21.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 128.02 -173.11 18.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 31.1 m95 -98.8 157.68 16.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -165.05 161.03 14.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.577 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.5 p -75.7 -42.17 51.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -51.54 -36.85 46.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.5 m-85 -67.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -64.03 157.69 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.77 159.59 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER -107.07 138.13 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.45 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 13.2 mm -101.95 -53.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 122.86 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.47 -13.19 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.948 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 -9.24 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -98.86 -33.25 10.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -56.92 -57.49 12.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 110.324 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.92 10.42 14.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.95 86.17 0.17 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.03 5.1 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 9' ' ' HIS . 5.1 t 73.9 -69.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -158.23 -56.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -174.67 97.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 0.759 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 p -145.88 168.37 20.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 88.6 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 60.29 85.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -85.88 149.38 25.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.94 -154.65 53.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 156.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -126.58 120.77 30.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.04 148.36 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.4 OUTLIER -117.17 126.41 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.38 110.34 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 16.2 m -130.42 146.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.4 tppt? -106.28 144.49 32.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.72 175.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -111.12 -53.19 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 8.6 p90 -147.75 172.51 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.05 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -108.38 118.34 36.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.41 138.23 32.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.615 1.197 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.84 145.14 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.81 -24.34 41.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -157.68 -177.03 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -18.21 52.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.93 10.46 21.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 56' ' ' TRP . 16.8 tt0 -115.53 152.56 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -77.23 121.33 23.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -102.82 105.84 16.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.1 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.78 143.29 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -77.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.31 138.35 12.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.97 62.94 5.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 4.7 m-20 -141.4 92.29 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -56.74 136.1 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.572 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.2 mt -121.22 144.39 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.7 m-85 -101.09 111.4 23.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.09 116.84 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.66 -44.71 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.2 tpm_? -65.45 -70.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 48.0 t 68.97 78.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.5 mm-40 -108.28 152.02 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -100.88 -5.28 26.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.2 -48.53 53.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.1 -31.08 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -100.79 167.68 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -140.8 121.27 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.2 tt0 -94.68 137.78 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -152.37 -159.06 8.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.079 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.61 127.1 16.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.3 tp -107.28 167.2 10.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 38.9 m-80 -46.02 91.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 31.09 77.27 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.66 165.88 25.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.463 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 14.8 m -160.48 165.04 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' N ' HD21 ' A' ' 27' ' ' LEU . . . 140.59 -177.3 20.89 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 26.9 m95 -105.79 130.98 53.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CE2' HG21 ' A' ' 35' ' ' ILE . 41.9 p90 -136.86 160.58 65.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 124.84 8.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.597 1.841 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 91.0 p -81.94 -23.69 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -35.57 81.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.7 m-85 -72.59 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.93 168.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.3 ttp180 -118.12 148.06 42.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -89.69 147.59 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.24 -54.88 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -53.91 112.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.4 m -77.92 -20.54 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.5 -9.3 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' OE1' ' CA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -91.15 -26.68 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -39.3 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.03 8.8 43.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.5 77.63 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 63.54 6.03 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m 58.94 106.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 120.81 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.132 . . . . 0.0 111.017 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.33 109.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 0.715 . . . . 0.0 109.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -172.81 102.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.03 -82.24 0.65 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -57.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -68.32 128.48 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.56 67.07 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.92 124.46 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -77.46 115.0 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 146.07 29.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.377 1.048 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.99 120.36 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.408 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -89.51 111.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 24.5 m -135.8 129.13 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 4.4 tppt? -82.9 137.11 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -55.97 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -130.91 -49.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 22.2 p90 -146.71 -173.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.573 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 47.6 m-20 -72.89 110.67 7.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.479 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 37.4 t80 -97.45 148.3 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.34 117.96 27.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.64 139.12 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -10.79 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -175.75 163.35 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.07 -13.83 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.8 -37.95 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -78.84 -178.49 6.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -100.36 164.47 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.415 ' N ' HD21 ' A' ' 27' ' ' LEU . 29.0 t -139.18 140.81 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 19' ' ' PHE . 12.3 p -144.51 153.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 19.5 t -112.84 -79.19 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.42 150.84 23.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.59 57.98 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -134.94 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -52.57 130.58 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.69 136.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.1 m-85 -91.13 111.09 22.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 12.7 t -83.2 120.34 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.3 -44.82 4.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.454 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.4 ttm180 -69.34 -72.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 21.7 t 75.91 78.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.0 mm-40 -104.23 150.88 24.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -2.91 32.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.11 93.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.49 -31.29 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 56.4 m95 -100.7 158.63 15.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.671 ' CE3' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -133.14 125.84 30.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 108.072 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.8 tt0 -98.65 120.6 39.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.17 -156.59 6.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.47 132.46 29.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 0.755 . . . . 0.0 110.465 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' GLY . 64.2 tp -110.24 167.18 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 48.3 m-80 -46.57 92.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.31 30.2 75.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -136.79 168.54 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 21.7 m -159.86 170.88 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 127.57 -159.11 21.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.43 151.14 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -157.3 162.92 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.4 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.671 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 83.7 p -91.03 -12.52 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -76.75 -51.13 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.0 -44.33 82.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.1 m -76.77 169.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -113.54 145.38 41.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 70' ' ' ARG . 24.1 tt0 -90.22 149.84 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.1 mt -108.11 -62.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.48 122.43 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -85.09 -21.87 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -82.02 -9.28 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.084 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -27.14 13.99 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -63.86 -50.35 69.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -92.29 8.37 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.81 89.13 0.15 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -41.35 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.565 1.824 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -145.69 146.48 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.86 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.074 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -170.97 110.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -75.8 111.56 11.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.74 -170.6 7.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -142.55 129.0 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.951 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 49.38 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.02 75.94 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.89 161.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -62.96 170.16 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -161.72 111.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.558 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.57 123.43 46.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -89.87 110.42 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -133.55 132.77 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.3 tppt? -94.19 143.96 25.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -59.76 -178.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -121.73 -53.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.6 p90 -147.52 167.12 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 10.9 m120 -47.19 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 1.203 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -111.46 110.09 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -84.42 139.11 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.6 pt20 -76.51 146.37 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -78.26 -12.88 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 29.2 m-20 -174.29 170.04 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -4.9 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -81.77 -41.14 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -78.57 179.78 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.05 167.68 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t -135.58 122.3 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.2 156.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.41 -88.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 144.33 31.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 49.74 64.54 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 2.4 m-20 -142.28 91.53 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.486 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -58.2 132.49 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.426 HG23 ' CE2' ' A' ' 57' ' ' PHE . 1.9 mt -119.78 135.19 60.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.4 m-85 -93.98 111.1 22.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 t -81.49 119.33 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -44.68 4.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -68.97 -72.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 21.5 t 75.61 78.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.3 mm-40 -104.12 151.05 23.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.31 -4.39 29.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.08 -46.33 91.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.36 -30.69 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 0.833 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.595 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 48.7 m95 -100.83 158.76 15.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.558 ' CH2' HD11 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -133.3 127.3 33.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 107.992 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.0 tt0 -100.35 120.48 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -139.42 -155.38 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.06 133.92 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.376 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.1 tp -111.72 167.34 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.418 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 49.9 m-80 -45.73 93.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 64.7 28.75 73.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.97 169.71 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.61 169.07 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 131.91 -168.94 22.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.6 m95 -106.12 166.14 10.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CE2' HG23 ' A' ' 35' ' ' ILE . 44.9 p90 -172.11 161.71 4.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.06 123.66 8.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 p -81.58 -22.63 37.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.06 -36.41 77.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.8 m-85 -68.72 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.429 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 4.0 m -63.32 153.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' LYS . 10.2 ttt180 -96.4 157.16 16.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -100.44 137.71 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 32.1 mm -103.49 -41.14 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 109.56 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -12.87 57.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -92.9 -9.35 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.28 -35.64 16.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -68.04 -41.95 81.31 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.5 p -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.5 99.78 0.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 72.43 4.61 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 79.61 84.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -127.16 151.48 48.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -108.33 138.75 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -137.57 -58.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.43 -129.54 1.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -166.27 151.14 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 0.713 . . . . 0.0 110.082 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -133.88 129.77 36.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.89 -133.59 2.36 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m 60.89 157.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -109.28 -180.0 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -140.95 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -105.62 120.29 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -90.36 108.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 ' CG1' HD21 ' A' ' 11' ' ' LEU . 11.5 m -130.95 142.5 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.2 tppt? -104.96 142.43 34.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -60.79 178.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -114.81 -52.33 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 17.3 p90 -147.89 178.99 8.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 57.0 m-20 -54.61 109.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -115.17 129.58 56.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -102.44 139.75 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 11.5 pt20 -85.24 144.15 28.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -70.75 -19.5 62.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 34.5 m-20 -174.0 159.83 3.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 11.6 pt-20 -56.2 -20.16 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -65.93 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -81.4 175.86 10.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 110.246 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.09 163.02 15.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -141.49 133.22 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 m -140.17 150.26 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.05 -77.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 148.81 27.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.63 65.0 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 10.8 m-20 -137.25 87.61 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -54.41 126.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mp -113.75 146.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.7 m-85 -106.2 111.04 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 10.7 t -82.96 120.76 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.15 -43.98 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.472 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -71.57 -73.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 18.1 t 77.41 78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.6 mm-40 -103.84 150.04 24.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.49 -0.27 38.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.82 95.8 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.15 -32.17 0.36 Allowed Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 59.9 m95 -100.6 157.99 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -133.96 125.38 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.063 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.6 tt0 -97.52 122.76 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.91 -157.1 7.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.76 133.68 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.1 tp -111.89 167.29 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.436 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 41.6 m-80 -46.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 68.37 27.9 73.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -136.11 166.3 23.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.3 t -160.56 170.92 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.452 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 127.53 -173.63 18.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 32.7 m95 -98.73 156.59 16.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -162.64 161.28 19.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.69 8.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.0 t -84.88 -16.59 40.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -71.57 -41.38 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -64.1 -61.78 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 3.3 m -62.75 -177.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -132.82 144.23 50.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.4 ' HA ' ' CG1' ' A' ' 13' ' ' VAL . 24.4 tt0 -89.67 146.94 24.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CD1' HD12 ' A' ' 34' ' ' ILE . 11.9 mt -105.34 -58.45 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -46.67 134.17 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -26.98 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -75.86 -9.47 58.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -96.04 -12.93 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -100.06 -42.93 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 m -74.8 -2.32 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.9 122.16 2.68 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.42 4.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.0 p -132.83 129.73 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 t -94.91 -57.12 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.46 112.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -175.25 148.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.036 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.06 -83.47 0.76 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 t -144.21 -68.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 32.53 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.44 142.03 6.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.531 1.144 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -145.89 157.22 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.575 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -178.25 129.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -109.31 118.72 37.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.05 103.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.8 m -125.11 135.47 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -93.55 136.95 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -57.24 162.84 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -102.08 -46.99 4.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 26.5 p90 -147.98 -171.56 3.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 5.5 t-20 -73.78 105.41 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.443 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 30.8 t80 -96.91 138.37 34.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 117.61 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.7 pt20 -67.47 141.33 56.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.87 -12.22 59.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.8 m120 -168.38 169.51 10.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -5.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.37 -37.86 25.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -178.2 5.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -98.28 162.6 13.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.41 ' N ' HD21 ' A' ' 27' ' ' LEU . 30.7 t -138.11 139.95 39.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 15' ' ' ALA . 8.0 p -146.47 156.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.3 t -113.73 -86.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 143.65 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.27 63.94 4.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -141.47 89.94 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.493 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -52.81 126.99 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.02 150.23 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 34.6 m-85 -107.79 111.07 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.404 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 10.8 t -84.4 120.33 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.37 -44.55 4.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.7 ttm180 -69.45 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 21.6 t 75.74 75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -100.15 149.23 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.81 0.46 41.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.01 -44.65 97.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.51 -31.94 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -100.95 156.83 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.13 131.11 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 7.3 tt0 -103.27 121.47 42.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.37 -158.65 7.62 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.01 132.32 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.423 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.2 tp -111.13 167.38 10.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.424 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 m-80 -45.99 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.86 29.64 74.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -135.78 166.97 22.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 0.793 . . . . 0.0 110.36 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.7 t -160.16 170.59 20.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.51 -158.7 21.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 26.2 m95 -112.84 152.59 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -158.15 161.74 28.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.496 ' OG ' ' CE3' ' A' ' 46' ' ' TRP . 5.7 t -92.14 -53.69 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' SER . 7.8 m-20 -39.8 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 37.4 m-85 -73.19 -59.65 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 10.1 m -65.13 150.2 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.04 159.17 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 1.0 OUTLIER -110.26 139.04 45.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 31.7 mm -99.43 -47.18 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 122.35 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.6 m -94.24 -11.43 30.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 -9.34 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -96.59 -41.18 8.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.427 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -52.29 -57.93 8.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.49 13.99 9.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.32 -97.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.59 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t 48.81 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.6 t -39.49 111.34 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 0.0 110.062 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 110.914 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.56 99.0 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 0.812 . . . . 0.0 110.062 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 61.32 84.28 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.81 -130.27 17.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -90.85 -60.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -138.03 -61.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.7 147.3 4.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 71.9 m -63.9 148.0 50.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.022 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 8' ' ' SER . 41.6 m80 -156.3 -45.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.77 121.27 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -111.65 121.55 45.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 HG22 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -91.74 110.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 6.3 m -130.72 142.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.7 tppt? -102.75 141.02 36.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -176.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.381 1.05 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.07 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 13.3 p90 -146.12 177.08 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 23.1 m-80 -58.77 101.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -103.32 146.5 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.67 133.16 56.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -78.91 146.71 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -80.81 -23.45 39.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -157.83 175.67 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -10.9 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.59 10.84 37.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -115.94 150.36 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -77.51 117.96 19.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.11 111.42 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.28 150.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -112.16 -79.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 138.23 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.73 63.11 5.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.52 91.83 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.483 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -58.09 134.67 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.553 HG22 ' CE2' ' A' ' 57' ' ' PHE . 1.4 mt -120.01 148.27 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.9 m-85 -105.06 110.74 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.47 HG13 ' CG2' ' A' ' 40' ' ' VAL . 13.1 t -82.59 117.97 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.14 -44.5 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.9 tpm_? -68.5 -69.81 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG2' HG13 ' A' ' 37' ' ' VAL . 34.2 t 72.33 75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.14 119.41 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.61 0.04 21.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.41 -47.2 92.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.38 -37.15 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -100.35 163.18 12.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.57 ' CE3' ' HB2' ' A' ' 59' ' ' SER . 0.0 OUTLIER -135.81 125.48 25.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.5 tt0 -99.13 121.81 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.57 -159.27 8.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.25 128.17 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.383 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.2 tp -108.99 167.89 9.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.421 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 6.0 p30 -45.25 91.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.09 28.95 74.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 5.1 mtt85 -135.98 159.05 42.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.471 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 56.5 m -157.62 148.77 21.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' N ' HD21 ' A' ' 27' ' ' LEU . . . 160.15 -171.18 36.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.405 1.066 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.604 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 30.3 m95 -109.55 130.56 55.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 35' ' ' ILE . 47.6 p90 -139.8 160.32 61.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.81 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.57 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 47.8 t -81.72 -21.98 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.61 -39.29 91.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.19 -62.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.9 m -61.01 -177.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -129.94 134.98 47.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.416 ' HG3' ' CD2' ' A' ' 11' ' ' LEU . 22.8 tt0 -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CD1' HD13 ' A' ' 34' ' ' ILE . 5.5 mt -105.48 -58.82 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -44.4 112.57 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -80.93 -15.8 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -85.32 -9.37 57.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -98.7 -19.24 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -43.52 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -99.34 13.77 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.0 63.8 0.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.54 5.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.95 150.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 t -171.3 150.7 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -152.52 -60.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -176.86 155.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.96 -135.74 13.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 56.53 108.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 -55.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 153.88 17.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 61.63 161.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.053 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.71 141.01 21.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -39.6 134.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -123.83 121.14 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.7 mp -91.58 111.6 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' CG2' ' CG1' ' A' ' 62' ' ' VAL . 5.3 m -132.17 131.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -86.76 132.98 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -54.58 151.13 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HD2' ' CA ' ' A' ' 61' ' ' TYR . 2.2 ttt85 -81.7 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' CYS . 38.9 p90 -148.53 -169.57 3.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.99 121.19 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 73.8 t80 -132.07 104.68 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -77.54 136.69 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 10.6 pt20 -83.97 148.0 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 p -84.71 -23.02 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 20.7 m-80 -156.03 173.43 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -71.6 -20.42 61.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.81 7.5 20.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -110.82 149.52 30.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD22 ' N ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -77.3 117.0 18.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.448 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 1.2 p -97.56 112.24 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 35' ' ' ILE . 24.4 m -125.06 137.42 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -102.71 -72.09 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.57 149.19 13.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.49 59.59 5.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 1.3 m-20 -138.68 88.85 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.479 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -57.29 130.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 ' CD1' HG12 ' A' ' 29' ' ' VAL . 1.6 mp -115.29 140.2 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.511 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 35.5 m-85 -93.89 110.82 22.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' CG1' HG22 ' A' ' 40' ' ' VAL . 14.7 t -81.81 118.59 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.91 -43.49 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 3.5 ttt180 -70.95 -72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG22 ' CG1' ' A' ' 37' ' ' VAL . 20.9 t 76.49 78.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 mm-40 -103.74 149.9 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.61 -1.8 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.54 -46.08 94.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.47 -32.17 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -100.6 160.26 14.5 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -133.83 127.93 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.038 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 4.5 tt0 -99.61 119.33 37.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.18 -159.7 8.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.42 131.85 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.417 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.1 tp -110.75 166.79 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.407 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 45.9 m-80 -42.7 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 60.29 38.47 94.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -135.7 171.0 15.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.1 t -158.86 163.55 36.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' N ' HD22 ' A' ' 27' ' ' LEU . . . 130.59 -171.25 20.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.549 1.156 . . . . 0.0 110.942 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 20.8 m95 -107.74 173.36 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CE2' HG21 ' A' ' 35' ' ' ILE . 23.7 p90 -175.89 159.28 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.04 127.5 10.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.3 p -89.45 -28.0 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -42.4 -33.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -95.94 -57.99 2.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.456 1.098 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -43.36 117.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.8 tpt180 -82.39 143.55 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -90.31 152.61 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.92 -55.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -48.42 129.59 15.99 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -13.49 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -9.31 31.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.98 -35.79 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -27.26 67.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.49 13.64 20.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.4 -89.06 0.28 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.489 1.118 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.11 33.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.05 165.28 24.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.569 1.168 . . . . 0.0 109.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -159.06 -57.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 110.961 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -96.01 -58.17 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 -58.62 1.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.43 -91.26 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.08 157.91 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.99 -58.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.33 -80.96 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -55.99 152.05 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.418 ' NE2' HG21 ' A' ' 40' ' ' VAL . 7.2 p-80 -113.83 173.73 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 3.2 tt0 -123.14 118.28 27.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.02 121.7 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.223 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp -91.52 106.56 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.7 142.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.3 tppt? -98.36 141.25 31.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.471 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -68.86 155.59 39.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -82.21 -60.75 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' CYS . 44.9 p90 -148.66 -169.35 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -59.44 109.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 50.7 t80 -106.82 134.4 50.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -104.72 127.87 52.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.9 pt20 -79.49 143.22 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -71.93 -15.56 62.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.7 m120 -175.55 160.48 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.4 -16.76 10.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.95 -37.22 72.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -82.03 179.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -94.25 162.72 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -141.85 126.54 18.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 19' ' ' PHE . 9.8 p -129.06 156.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -111.03 -75.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 153.32 14.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.47 63.75 1.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -139.34 90.08 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -52.45 125.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 33' ' ' ASP . 2.1 mp -112.01 143.76 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.541 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.9 m-85 -99.63 110.57 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.407 ' CG1' HG22 ' A' ' 40' ' ' VAL . 9.9 t -83.05 118.11 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -107.21 -45.0 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.1 tpm_? -67.54 -69.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 40.4 t 71.33 76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.61 117.96 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.15 -3.62 27.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.95 -47.24 88.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.22 -34.97 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 61.9 m95 -100.45 157.13 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.82 120.31 21.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 2.2 tt0 -95.21 125.1 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.5 -158.8 7.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -137.88 127.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.2 tp -106.99 167.15 10.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 41.0 m-80 -46.18 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.81 28.42 73.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -134.68 166.06 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.426 ' OG1' ' C ' ' A' ' 53' ' ' ARG . 9.2 m -158.27 170.88 21.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 130.85 -159.11 22.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 21.3 m95 -118.45 141.85 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 46' ' ' TRP . 3.1 p90 -144.37 161.45 44.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.03 112.6 3.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 65.8 p -75.56 -37.05 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -38.31 54.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -72.9 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 5.1 m -63.31 149.36 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 62.5 ttt180 -94.47 146.79 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -95.59 149.03 21.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mm -106.49 -64.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -42.03 115.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.5 p -87.02 -8.72 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.4 p -94.0 -9.32 37.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.81 -35.59 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -34.02 74.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 m -111.37 13.96 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.3 -96.22 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 136.04 19.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.09 132.46 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 127.06 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.0 110.975 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -118.91 -58.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -113.05 136.88 52.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.17 136.07 8.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -177.2 83.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.729 . . . . 0.0 110.049 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -120.18 119.9 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.32 -103.33 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -158.3 -53.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 0.795 . . . . 0.0 109.978 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 3.7 p80 -167.52 173.21 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -69.72 147.42 50.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.591 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.25 118.14 35.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' CG2' HG12 ' A' ' 34' ' ' ILE . 2.7 mp -89.93 111.22 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 64' ' ' GLU . 28.8 m -136.19 130.11 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 4.2 tppt? -81.9 140.73 33.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -59.73 -178.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -123.23 -48.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 24.0 p90 -147.67 -170.67 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.539 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 10.9 m-20 -77.11 106.47 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 26.3 t80 -94.05 148.53 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -122.02 115.46 22.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 9.6 pt20 -68.48 143.96 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.91 -14.17 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.436 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 37.8 m-20 -172.01 172.66 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -72.47 -8.49 55.37 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -30.15 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 1.9 tt0 -86.98 -170.44 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -109.57 160.61 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 27' ' ' LEU . 48.4 t -136.58 144.46 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 19' ' ' PHE . 11.9 p -147.01 149.72 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -78.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.257 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 152.66 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.04 59.07 3.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 3.2 m-20 -136.79 86.85 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.73 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.14 133.11 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.68 140.98 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.535 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.7 m-85 -95.65 110.27 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 40' ' ' VAL . 12.4 t -82.29 125.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -49.32 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 8.5 ttm180 -71.43 -68.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.481 HG22 ' CG1' ' A' ' 37' ' ' VAL . 14.8 t 76.0 74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 mt-10 -105.43 120.77 42.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.52 1.15 20.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.057 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.47 -49.89 58.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.52 -44.39 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.552 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 45.3 m95 -100.44 173.77 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -139.57 133.17 30.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.967 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.0 tt0 -102.58 110.9 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.0 -158.29 8.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -141.93 136.24 30.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 110.424 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 52' ' ' GLY . 59.7 tp -112.9 168.33 9.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.412 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 46.5 m-80 -45.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.9 32.22 80.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 3.1 mtt85 -137.22 167.02 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.6 t -159.85 168.57 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.472 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 126.25 -163.56 20.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 40.3 m95 -103.67 158.45 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -162.73 162.93 18.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.09 121.83 6.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.506 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.4 p -90.54 -53.98 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -41.3 -38.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 44.5 m-85 -67.67 -59.15 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 10.8 m -67.86 149.9 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -91.3 154.58 19.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' OE2' ' CG ' ' A' ' 70' ' ' ARG . 23.5 tt0 -97.92 149.77 22.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -108.44 -55.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -49.91 121.64 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -88.9 -17.22 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.387 1.055 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -87.2 -9.24 55.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.99 -40.58 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -54.44 -47.2 73.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 13.12 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.48 65.62 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.07 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 t -178.86 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 p -139.53 167.91 21.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -168.85 161.15 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.49 114.69 3.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.424 1.077 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -63.86 148.4 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.58 80.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.54 -72.01 0.02 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -105.96 157.02 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -71.0 148.32 47.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.548 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -126.77 138.09 53.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -120.88 121.31 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.14 108.44 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -127.61 149.23 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.0 tppt? -108.65 145.97 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.37 157.59 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -61.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.8 p90 -148.62 -170.03 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -55.58 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -109.23 114.12 27.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 146.01 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.14 141.88 29.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -70.73 -21.47 62.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -167.3 158.83 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -26.91 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -46.47 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.91 178.87 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -93.02 164.64 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.26 135.7 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 35' ' ' ILE . 0.7 OUTLIER -140.1 161.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' PHE . 38.3 t -115.99 -76.94 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -174.68 132.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 59.57 52.68 51.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -114.77 -31.67 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.505 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 72.68 122.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 ' CD1' HG13 ' A' ' 29' ' ' VAL . 1.9 mp -117.7 149.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 109.205 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 40.9 m-85 -109.2 111.2 22.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG13 ' CG2' ' A' ' 40' ' ' VAL . 4.9 t -81.86 122.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.55 -46.72 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' CD ' ' CH2' ' A' ' 56' ' ' TRP . 35.1 ttm-85 -69.37 -70.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG2' HG13 ' A' ' 37' ' ' VAL . 24.3 t 71.99 77.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 39' ' ' ARG . 7.9 mm-40 -110.69 162.43 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.8 pt-20 -103.59 -16.05 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -36.31 -52.59 1.31 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.83 -33.93 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -105.54 161.39 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.573 ' CH2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -127.8 128.4 45.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.037 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 15.4 tt0 -98.25 122.28 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.69 -159.04 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.07 136.39 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLY . 61.6 tp -116.82 167.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.413 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 51.4 m-80 -44.44 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.01 31.69 81.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -134.25 168.54 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 t -159.95 170.33 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.435 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 128.97 -163.28 22.37 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 39' ' ' ARG . 18.9 m95 -112.37 170.99 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -175.48 161.12 2.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.94 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.511 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 87.9 p -73.62 -23.81 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.07 -35.64 81.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.4 m-85 -71.72 -62.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.07 145.26 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.13 162.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.44 138.15 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.458 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 27.4 mm -102.22 -49.0 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.98 121.85 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -91.65 -13.65 31.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.092 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -95.28 -9.32 33.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -98.45 -39.84 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.28 -51.1 69.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.89 12.25 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.63 78.47 0.19 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 55.96 4.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.42 122.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.6 t -146.11 141.79 27.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -157.11 126.64 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.727 . . . . 0.0 110.049 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -128.3 140.27 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.13 91.12 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.89 147.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 167.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.65 149.06 5.71 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.66 139.87 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 38' ' ' THR . 8.8 p-80 -60.05 165.1 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.481 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -173.63 138.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.572 HD11 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.3 121.8 44.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.78 112.64 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -135.45 137.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' CA ' HD12 ' A' ' 34' ' ' ILE . 5.5 tppt? -94.25 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.46 146.53 54.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -72.75 -67.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.3 p90 -147.62 -170.83 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.22 112.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 19.8 t80 -126.79 96.14 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.6 132.95 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt20 -77.7 142.1 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -75.37 -12.12 60.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 25.9 m120 -157.52 150.92 23.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -8.58 31.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.77 -30.99 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 3.1 tt0 -71.7 175.96 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -83.86 125.98 32.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' N ' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -110.9 108.3 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -118.49 148.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' PHE . 3.0 t -111.48 -68.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 108.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 144.7 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.89 64.16 3.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.456 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 42.6 m-20 -143.68 94.66 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 HD12 ' CA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.91 139.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG21 ' CE2' ' A' ' 57' ' ' PHE . 2.5 mt -125.61 149.42 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 33.8 m-85 -107.79 110.71 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.2 120.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -106.55 -44.68 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 5.2 ttm180 -70.96 -73.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 17.2 t 77.9 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 1.5 mm-40 -100.26 148.54 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.26 -1.56 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 -45.17 97.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.98 -31.11 0.4 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -100.96 157.8 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.588 ' CE3' ' CB ' ' A' ' 59' ' ' SER . 0.1 OUTLIER -132.21 132.89 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.7 tt0 -106.83 115.85 30.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.07 -153.72 7.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -143.46 132.46 22.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 52' ' ' GLY . 60.8 tp -109.94 166.82 10.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.411 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 40.4 m-80 -45.07 92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 65.57 33.88 87.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.93 169.06 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.55 165.33 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.454 ' N ' HD21 ' A' ' 27' ' ' LEU . . . 133.84 -160.05 23.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.51 175.19 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' CE2' HG21 ' A' ' 35' ' ' ILE . 16.8 p90 178.99 160.43 0.7 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.575 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.6 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.588 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 86.2 p -72.85 -32.29 65.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -35.96 77.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.9 m-85 -70.56 -59.5 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.3 m -53.08 -179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -118.71 145.36 45.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.5 OUTLIER -92.47 138.52 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 24.2 mm -105.14 -34.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -86.54 119.44 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -82.63 -25.69 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -11.23 60.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.481 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 23.7 mm-40 -99.85 -50.13 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -57.88 -36.31 72.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -108.17 13.71 25.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.25 -102.55 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -148.53 99.09 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -118.99 134.05 55.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -106.12 -58.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.38 -58.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.55 -146.2 8.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -145.9 -59.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.988 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 78.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.14 94.21 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.8 p -143.52 -55.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.6 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 66.85 136.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -122.37 124.65 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -94.84 111.92 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.6 m -130.44 133.57 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -90.19 130.42 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.476 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -50.33 159.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -89.62 -63.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.75 -175.49 5.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -53.5 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 58.7 t80 -105.46 144.3 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -112.77 133.09 54.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.91 144.0 37.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.1 p -76.39 -20.98 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.0 167.32 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.34 -6.11 48.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.11 -30.25 14.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -70.33 168.58 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.4 146.83 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 112.0 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.01 149.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.34 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.44 132.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.87 51.11 54.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 m-20 -133.03 88.27 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -55.91 135.47 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 mt -119.26 138.1 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.521 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.6 m-85 -90.96 111.01 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.519 HG23 ' CE3' ' A' ' 46' ' ' TRP . 5.0 t -82.06 120.71 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 -44.1 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 3.5 tpt180 -72.82 -73.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 18.0 t 77.32 77.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -102.54 151.25 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.21 -2.5 33.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.63 95.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.3 -30.97 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 52.1 m95 -101.38 154.86 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -130.68 129.25 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.6 tt0 -100.45 113.12 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.39 -152.82 7.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -148.95 134.08 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.462 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.1 tp -112.36 168.59 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.426 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 40.4 m-80 -46.74 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 70.93 28.02 71.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.56 157.45 46.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.495 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 96.9 m -158.11 145.44 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 155.23 -158.14 28.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.7 m95 -108.62 168.56 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -174.18 161.03 2.89 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -74.98 125.05 9.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' ASN . 87.4 p -91.61 -31.37 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' SER . 63.0 m-20 -39.62 -35.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -96.28 -56.22 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -44.05 117.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.82 140.68 32.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.236 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -89.19 147.13 24.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mm -106.32 -56.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -49.76 119.95 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -89.33 -17.19 29.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -9.26 56.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -95.62 -23.66 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -35.99 82.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -105.73 13.35 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.31 -98.06 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.07 5.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.7 p -44.04 109.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.944 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -62.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -164.78 128.7 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 p -80.43 156.85 26.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -179.87 38.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -160.73 168.25 25.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.65 167.76 25.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.96 -159.42 27.96 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -155.25 122.74 5.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 0.739 . . . . 0.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 66.24 125.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.41 148.95 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.574 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.34 117.62 32.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.01 107.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -126.89 144.5 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.505 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.1 tppt? -107.69 141.61 38.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.64 170.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -109.0 -58.37 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.1 p90 -146.07 167.46 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -49.5 93.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.2 t80 -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 111.082 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.83 129.1 55.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 6.1 pt20 -72.26 142.09 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -74.99 -19.71 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -151.75 164.44 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.84 -9.51 58.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.27 -14.22 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -87.17 166.37 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -77.81 124.42 27.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.71 104.06 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG11 ' CD2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -107.63 168.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -130.71 -64.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -175.37 140.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 44.44 60.37 3.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -36.18 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.505 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 72.22 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 mp -118.02 136.6 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' THR . 47.3 m-85 -98.33 111.29 23.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.1 t -77.73 122.44 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.39 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.8 ttm180 -73.37 -73.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.488 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 16.3 t 79.52 77.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.8 mm-40 -103.76 151.07 23.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -4.4 29.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.06 -47.94 64.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.53 -33.86 0.29 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.548 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 58.5 m95 -100.88 164.22 11.93 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -136.01 133.28 37.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 10.7 tt0 -105.68 115.97 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.57 -152.24 7.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.27 134.03 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.438 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' GLY . 60.2 tp -112.98 167.83 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.409 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 49.6 m-80 -45.94 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.64 31.14 75.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 1.3 mtt85 -138.28 159.48 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.505 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 92.4 m -157.65 146.93 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.527 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 155.57 -162.29 31.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 38.0 m95 -107.96 163.37 13.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -170.78 161.85 5.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.91 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.9 p -79.1 -15.71 57.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.01 -35.41 66.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.502 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.9 m-85 -70.43 -63.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.14 -177.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -129.83 151.28 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -93.42 154.2 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.9 mm -110.38 -61.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 131.26 8.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -93.66 -12.65 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -9.32 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -88.08 -39.04 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -65.07 -29.26 70.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -82.29 4.58 23.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 138.32 9.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 85.84 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.552 1.817 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -154.27 133.23 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.84 -57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.93 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.78 -59.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 73.28 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.75 155.21 6.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -151.82 98.12 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.62 0.835 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -89.15 110.43 21.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 123.25 0.22 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.93 -65.11 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.6 m170 64.26 133.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.67 117.07 9.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -113.04 122.02 46.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.49 111.39 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.1 m -135.89 139.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' CE ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -99.35 141.42 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 177.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -112.05 -53.64 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -147.52 175.03 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -57.39 95.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.31 154.81 17.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.84 132.31 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt20 -80.99 140.78 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 -17.37 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 19.4 m120 -164.36 153.73 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.88 -16.3 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -33.92 51.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -76.99 171.15 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.7 138.15 38.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -119.81 91.19 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' A' ' 35' ' ' ILE . 23.1 m -105.68 144.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.8 m -111.63 -79.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 136.65 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.4 62.3 6.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.471 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 22.6 m-20 -138.91 90.58 2.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.37 129.67 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.586 HG22 ' CE2' ' A' ' 57' ' ' PHE . 1.8 mt -118.74 140.18 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 m-85 -99.14 111.42 23.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 t -80.78 121.3 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -43.4 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.397 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -73.22 -73.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 16.4 t 78.52 77.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 4.2 mm-40 -103.19 150.04 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.45 -3.33 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.11 94.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.5 -31.44 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 55.3 m95 -101.12 158.2 16.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -133.22 130.43 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 9.4 tt0 -103.41 117.36 34.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -136.59 -155.55 7.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' GLY . 65.2 tp -106.63 168.11 9.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 5.9 p30 -44.95 92.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 32.42 81.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.16 167.01 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 0.728 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.519 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 13.4 m -159.63 151.46 20.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.549 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 146.99 -171.67 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 35.2 m95 -99.51 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.586 ' CE2' HG22 ' A' ' 35' ' ' ILE . 30.4 p90 -169.05 161.72 7.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.9 112.34 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.525 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 10.3 p -81.46 -34.65 31.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -51.8 -41.43 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 26.6 m-85 -68.98 -61.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.3 m -57.26 160.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 152.95 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 66' ' ' LYS . 31.3 tt0 -90.04 150.48 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.3 mm -110.77 -37.9 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -90.46 102.94 15.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 p -71.5 -20.35 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -9.58 58.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' CB ' HD22 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -86.13 -52.56 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' SER . 2.3 ptt180 -56.25 -27.01 53.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -95.99 9.12 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.078 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.57 67.45 0.32 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -38.79 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -133.12 137.79 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 p -50.49 124.0 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -145.23 132.92 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.28 165.17 12.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.94 73.46 0.35 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -146.78 110.9 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -131.65 -59.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.33 -90.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.95 159.64 29.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.971 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 10' ' ' GLN . 6.8 t60 61.05 147.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -164.81 122.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.576 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.89 118.85 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.98 103.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 33.4 m -123.1 139.44 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' CA ' HD12 ' A' ' 34' ' ' ILE . 1.3 tppt? -101.2 144.88 29.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 161.91 29.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -62.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -149.78 176.13 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.55 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . 79.9 t80 -102.62 142.42 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -111.63 139.57 46.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' CG ' ' OG ' ' A' ' 28' ' ' SER . 7.2 pt20 -88.52 144.94 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.7 p -73.24 -18.82 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 10.2 m120 -153.94 155.2 35.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 53' ' ' ARG . 1.1 pm0 -67.29 -9.88 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.34 -33.3 22.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -71.44 -177.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.08 129.11 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -115.16 104.6 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.15 149.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.6 m -108.88 -86.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 129.46 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.19 60.58 6.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . 44.5 m-20 -137.45 89.96 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 ' CA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -56.26 131.63 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.569 HG21 ' CE2' ' A' ' 57' ' ' PHE . 1.7 mp -119.24 138.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 36.0 m-85 -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 40' ' ' VAL . 13.8 t -81.61 122.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -44.57 4.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -71.95 -73.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' CZ2' ' A' ' 46' ' ' TRP . 15.7 t 77.56 77.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.9 mm-40 -103.57 150.16 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.4 1.04 40.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.32 -45.54 95.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.595 1.184 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.6 -32.52 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.3 m95 -100.91 156.51 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.89 127.5 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 108.04 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.5 tt0 -98.5 118.09 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -135.43 -160.02 8.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.71 127.17 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.385 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 52' ' ' GLY . 66.4 tp -110.78 168.15 9.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 1.087 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.434 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 5.6 p30 -45.11 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 59.69 39.46 95.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -152.29 119.26 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.513 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 18.9 m -116.72 154.05 31.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.525 ' N ' ' CD2' ' A' ' 27' ' ' LEU . . . 153.08 -176.43 31.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 38.2 m95 -96.8 168.77 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE2' HG21 ' A' ' 35' ' ' ILE . 50.7 p90 -178.54 160.84 1.13 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 124.65 8.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.44 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 12.9 p -88.21 -38.77 15.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -50.14 -32.97 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.213 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.529 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 18.0 m-85 -77.64 -54.16 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.82 149.16 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -85.34 158.73 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.91 137.87 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 38.7 mm -100.26 -58.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.31 121.89 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -92.3 -12.6 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -9.25 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.49 -36.92 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -46.56 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.67 12.16 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.22 -117.02 1.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t 60.26 114.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.6 103.04 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.9 79.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.52 82.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 109.968 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.86 69.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p 39.79 84.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -75.56 165.78 24.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.9 -87.23 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 p -147.64 113.77 5.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -124.64 -42.51 2.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -79.37 137.98 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.28 122.71 46.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.421 1.075 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -89.09 110.03 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -133.44 135.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -94.72 140.77 29.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . . . -65.95 162.47 19.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 1.3 ttm180 -90.03 -59.07 2.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' CYS . 37.0 p90 -148.71 -169.45 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -56.31 119.44 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -125.6 121.11 32.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 139.7 32.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -84.85 148.06 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -77.87 -20.58 52.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -165.38 172.59 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -13.49 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -27.07 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 2.9 tt0 -92.31 163.8 13.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 HD13 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -82.1 167.01 19.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 1.4 t -144.46 134.33 23.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 m -141.71 146.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -104.16 -77.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.73 147.09 21.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.65 62.68 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -137.22 88.64 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.483 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -53.46 129.94 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.1 mp -115.32 150.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 28.2 m-85 -108.69 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 t -82.34 120.42 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.23 -44.73 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 4.1 ttm180 -70.07 -74.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 18.9 t 78.22 77.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.7 mm-40 -103.97 149.89 24.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.4 -0.65 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.59 93.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.39 -31.92 0.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.607 0.828 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.539 ' CZ3' ' CD ' ' A' ' 26' ' ' GLU . 67.4 m95 -100.97 161.84 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -136.12 123.39 21.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 8.2 tt0 -96.0 122.17 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.32 -156.1 6.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.83 133.68 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.0 tp -111.4 167.6 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.429 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 57.2 m-80 -46.03 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.4 30.31 76.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -135.95 168.53 19.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.1 t -159.91 170.52 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' N ' HD13 ' A' ' 27' ' ' LEU . . . 128.93 -172.93 19.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.0 m95 -101.51 156.47 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -163.18 161.78 18.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 127.67 10.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 88.4 p -85.65 -35.01 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -60.56 -39.1 86.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 9.1 m-85 -63.93 -58.65 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 15' ' ' ALA . 11.9 m -67.32 161.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HG3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -98.76 155.37 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -100.26 138.28 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 44.5 mm -102.61 -36.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.496 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -82.42 108.71 16.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.8 p -76.64 -21.64 55.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.02 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.8 t -73.92 -9.71 58.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.2 mm-40 -99.62 -53.92 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 71' ' ' SER . 29.4 ptt85 -56.35 -39.8 73.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 70' ' ' ARG . 5.0 t -70.56 -6.03 33.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.63 126.32 2.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' SER . 18.3 Cg_endo -74.97 148.81 35.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t 70.28 -60.29 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -47.86 -55.72 9.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.49 118.02 27.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.34 89.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.92 -150.32 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.21 150.11 26.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.15 135.75 53.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.08 74.23 0.81 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.9 p -176.62 152.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -113.87 135.19 54.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -82.48 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.95 121.92 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.54 104.4 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.5 m -123.72 141.77 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' CA ' HD11 ' A' ' 34' ' ' ILE . 7.7 tppt? -97.64 149.86 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -70.31 150.03 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -45.55 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 14.3 p90 -148.61 179.25 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.09 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 39.4 m-20 -69.1 107.74 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 51.5 t80 -96.64 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.92 124.22 48.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.81 147.71 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.061 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -90.53 -21.95 21.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -153.46 174.97 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -22.44 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -83.3 2.23 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.41 147.23 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HA ' ' A' ' 54' ' ' THR . 0.2 OUTLIER -77.07 117.07 18.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.31 102.78 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 15' ' ' ALA . 5.4 p -108.11 155.15 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 m -120.09 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.25 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -144.91 143.78 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.74 64.22 3.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.416 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -141.59 93.53 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 HD11 ' CA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -55.83 128.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 29' ' ' VAL . 2.1 mt -116.59 139.58 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.527 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 45.2 m-85 -95.68 111.4 23.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 4.2 t -83.59 119.87 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -44.54 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.2 tpm_? -69.02 -71.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 35.3 t 72.83 79.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.17 151.06 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -100.35 -4.14 29.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.51 -45.16 96.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.09 -30.5 0.43 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -100.76 154.36 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -130.69 131.11 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 107.974 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 3.8 tt0 -104.66 123.71 48.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.8 -151.93 5.84 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.56 1.162 . . . . 0.0 111.053 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.41 129.25 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 52' ' ' GLY . 64.6 tp -109.92 167.78 9.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 49.9 m-80 -46.39 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.45 30.11 71.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -139.45 158.59 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.712 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.485 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 48.4 m -159.25 151.34 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.434 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 151.97 -146.54 15.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.537 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 15.7 m95 -125.15 158.05 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -161.11 162.47 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.2 Cg_endo -75.08 116.7 4.65 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.566 1.824 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' TYR . 1.6 t -86.19 -36.71 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -39.98 -29.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' SER . 28.8 m-85 -96.84 -53.01 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -45.11 148.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.327 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.69 145.04 28.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -100.9 137.5 39.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 24.3 mm -103.46 -59.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.67 127.34 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -94.14 -17.18 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 m -96.18 -9.38 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -46.09 -35.82 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.03 74.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . 83.4 p -101.53 13.39 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.06 -102.79 0.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p -152.07 128.36 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.067 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.67 99.12 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.82 96.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -156.65 132.4 9.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.89 -86.84 0.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.73 168.31 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 0.809 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -144.65 -59.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.7 -173.56 21.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -136.28 121.6 19.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 0.751 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.88 21.94 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -56.89 116.18 3.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.58 HD12 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -106.04 120.89 42.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.17 109.45 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 ' C ' ' CD1' ' A' ' 34' ' ' ILE . 21.3 m -132.85 141.47 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.4 tppt? -97.96 139.52 33.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.477 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -55.58 164.35 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -97.25 -60.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.21 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 15.3 p90 -148.63 -175.55 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -56.94 105.48 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -115.24 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 141.79 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 24' ' ' GLU . 10.0 pt20 -82.78 143.73 30.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 p -75.88 -16.74 60.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -171.99 162.72 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HA ' ' NE2' ' A' ' 21' ' ' GLN . 9.3 pt-20 -62.62 -12.78 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -36.54 60.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -86.58 174.44 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -88.81 171.41 9.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.85 129.38 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.963 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -136.52 158.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.2 m -115.78 -83.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.244 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 138.29 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.65 62.85 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -143.34 92.82 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.486 HG12 ' CE ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -56.48 132.54 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 mp -121.23 140.08 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 109.229 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 38.3 m-85 -97.24 110.85 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 11' ' ' LEU . 10.5 t -83.18 118.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.05 -45.19 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.5 tpm_? -66.8 -69.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.192 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 39' ' ' ARG . 42.4 t 70.93 77.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.85 126.79 52.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.58 1.36 30.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.56 94.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.06 -35.37 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.605 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.5 m95 -100.58 157.84 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.58 ' CH2' HD12 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.21 128.78 38.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.7 tt0 -103.04 121.73 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.09 -161.5 8.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -136.66 125.85 24.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 52' ' ' GLY . 62.1 tp -103.41 167.67 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 54.2 m-80 -46.68 91.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.37 26.73 74.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.06 166.48 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 t -159.88 170.31 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 131.52 -162.97 23.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 29.5 m95 -112.55 148.6 34.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -153.58 159.4 32.15 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.99 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -92.14 -26.33 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -47.46 -32.86 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -95.89 -54.67 3.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.88 139.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -89.35 142.73 27.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.24 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -94.04 139.31 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.498 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 46.9 mm -106.71 -47.87 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 5.5 ttpt -77.99 102.06 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -21.6 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -10.88 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.6 mm-40 -99.63 -20.12 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -45.46 5.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.99 5.16 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.68 -88.62 2.07 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 142.45 27.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.555 1.818 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m 56.24 166.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m 73.6 114.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.59 150.56 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -169.93 146.18 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.48 91.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -152.34 81.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -170.66 160.74 7.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.986 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.61 123.48 30.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.8 p -174.51 159.71 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 110.073 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.6 m80 65.41 31.64 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 109.639 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -154.17 111.6 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.247 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.598 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.05 122.54 47.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mp -85.86 114.81 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.35 140.49 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' CD ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -94.84 154.58 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.82 151.33 24.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -63.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.1 p90 -148.29 -169.62 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -54.52 106.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -115.2 113.32 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -93.72 132.2 38.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -73.33 146.09 45.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -75.96 -15.54 60.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -169.4 161.33 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -20.6 65.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -45.6 87.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.192 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -179.85 6.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -95.94 158.63 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 13.1 t -133.35 137.56 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -139.96 169.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.3 m -126.89 -77.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.259 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -159.63 142.11 13.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.17 56.22 2.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -102.95 -27.84 12.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 0.0 109.217 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.552 HG12 ' CD ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 67.81 113.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 29' ' ' VAL . 1.7 mp -115.56 149.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.532 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 26.1 m-85 -108.6 110.24 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.492 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.8 t -82.36 120.42 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.6 -46.27 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 3.7 ttm180 -62.63 -75.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG22 ' CG1' ' A' ' 37' ' ' VAL . 47.9 t 69.19 83.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 39' ' ' ARG . 5.9 mm-40 -127.26 177.02 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 44' ' ' GLY . 6.2 pt-20 -103.64 -11.53 17.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -37.11 -30.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLU . . . 133.74 -36.5 2.11 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -100.61 174.93 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.598 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.78 123.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.2 tt0 -93.91 116.64 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -133.2 -161.95 9.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.72 136.88 29.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.42 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' GLY . 55.3 tp -116.69 168.22 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -43.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.31 36.2 93.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 3.6 mtt-85 -138.04 167.95 20.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.9 t -160.11 171.12 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.469 ' N ' HD11 ' A' ' 27' ' ' LEU . . . 125.79 -173.62 17.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 110.961 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 33.1 m95 -101.0 173.81 6.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -179.09 160.9 1.0 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.9 t -79.87 -17.56 52.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.15 -30.88 67.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 6.0 m-85 -79.7 -53.08 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.51 139.18 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.1 ttt180 -82.57 156.28 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.09 147.65 26.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.1 mm -106.88 -49.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -59.52 119.93 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -12.53 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -91.56 -9.33 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -87.99 -41.63 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -42.73 97.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -97.78 12.78 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.56 64.71 0.34 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 58.51 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.5 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.55 110.75 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.582 1.176 . . . . 0.0 110.912 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.99 124.32 48.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.573 ' CG2' HD12 ' A' ' 34' ' ' ILE . 3.2 mp -92.74 112.6 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 64' ' ' GLU . 26.8 m -132.33 134.94 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.8 tppt? -92.95 144.29 25.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 168.01 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -103.97 -58.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.77 -175.01 4.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -59.45 103.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.3 t80 -114.98 113.85 24.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -89.54 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.15 138.36 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 p -74.27 -26.05 59.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -158.03 160.63 37.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.26 -24.59 67.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -37.33 84.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.54 ' OE1' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -86.47 177.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.69 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -92.25 170.88 9.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.69 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -148.24 122.59 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.021 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -129.55 154.1 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.31 -79.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.81 144.73 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.52 64.39 3.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -142.75 91.62 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.573 HD12 ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -56.62 129.02 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mt -114.13 148.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.1 m-85 -106.22 111.53 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.764 HG12 HG22 ' A' ' 40' ' ' VAL . 10.4 t -83.79 120.34 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.26 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.379 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.9 tpm_? -70.83 -72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.808 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.8 t 75.39 77.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.55 151.42 22.9 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.13 -4.35 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.16 91.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.0 -30.75 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' OE1' ' A' ' 26' ' ' GLU . 56.9 m95 -100.79 156.82 17.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.808 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.03 125.37 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.5 tt0 -97.31 121.72 39.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.97 -157.54 7.19 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.43 132.96 25.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.021 HD22 HG12 ' A' ' 29' ' ' VAL . 64.2 tp -109.98 167.63 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 50' ' ' LEU . 50.2 m-80 -47.2 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.25 26.51 74.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.69 166.68 22.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 55' ' ' GLY . 18.9 m -160.21 170.45 21.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.547 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.02 -173.11 18.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 31.1 m95 -98.8 157.68 16.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 53.2 p90 -165.05 161.03 14.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.577 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.5 p -75.7 -42.17 51.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -51.54 -36.85 46.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.5 m-85 -67.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 m -64.03 157.69 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.77 159.59 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -107.07 138.13 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 13.2 mm -101.95 -53.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 122.86 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.47 -13.19 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.948 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 -9.24 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.17 126.41 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -94.38 110.34 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 64' ' ' GLU . 16.2 m -130.42 146.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.4 tppt? -106.28 144.49 32.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.72 175.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -111.12 -53.19 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 8.6 p90 -147.75 172.51 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.05 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' A' ' 29' ' ' VAL . 31.6 t80 -108.38 118.34 36.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.41 138.23 32.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.615 1.197 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.84 145.14 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.637 HG22 ' OE1' ' A' ' 26' ' ' GLU . 9.8 t -79.81 -24.34 41.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -157.68 -177.03 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -18.21 52.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.93 10.46 21.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.637 ' OE1' HG22 ' A' ' 22' ' ' THR . 16.8 tt0 -115.53 152.56 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.23 121.33 23.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -102.82 105.84 16.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.1 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -117.78 143.29 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -77.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.31 138.35 12.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.97 62.94 5.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.68 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.7 m-20 -141.4 92.29 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -56.74 136.1 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.918 HD11 HG11 ' A' ' 29' ' ' VAL . 2.2 mt -121.22 144.39 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.7 m-85 -101.09 111.4 23.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.615 HG12 HG22 ' A' ' 40' ' ' VAL . 6.3 t -84.09 116.84 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.66 -44.71 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.2 tpm_? -65.45 -70.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 37' ' ' VAL . 48.0 t 68.97 78.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.5 mm-40 -108.28 152.02 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -100.88 -5.28 26.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.2 -48.53 53.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.1 -31.08 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -100.79 167.68 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -140.8 121.27 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.2 tt0 -94.68 137.78 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -152.37 -159.06 8.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.079 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.61 127.1 16.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.3 tp -107.28 167.2 10.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.504 ' H ' HD12 ' A' ' 50' ' ' LEU . 38.9 m-80 -46.02 91.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 31.09 77.27 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.66 165.88 25.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 27' ' ' LEU . 14.8 m -160.48 165.04 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' THR . . . 140.59 -177.3 20.89 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 26.9 m95 -105.79 130.98 53.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE2' HG21 ' A' ' 35' ' ' ILE . 41.9 p90 -136.86 160.58 65.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 124.84 8.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.597 1.841 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 91.0 p -81.94 -23.69 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -35.57 81.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.7 m-85 -72.59 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.93 168.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.3 ttp180 -118.12 148.06 42.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.588 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.3 tt0 -89.69 147.59 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.451 HG13 HD11 ' A' ' 34' ' ' ILE . 50.0 mm -107.24 -54.88 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -53.91 112.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.4 m -77.92 -20.54 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.5 -9.3 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' OE1' ' CA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.99 120.36 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -89.51 111.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 64' ' ' GLU . 24.5 m -135.8 129.13 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.4 tppt? -82.9 137.11 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -55.97 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -130.91 -49.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 22.2 p90 -146.71 -173.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.573 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 47.6 m-20 -72.89 110.67 7.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' HB3' HG12 ' A' ' 29' ' ' VAL . 37.4 t80 -97.45 148.3 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.34 117.96 27.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.64 139.12 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -10.79 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -175.75 163.35 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.07 -13.83 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.8 -37.95 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -78.84 -178.49 6.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -100.36 164.47 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 27' ' ' LEU . 29.0 t -139.18 140.81 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 15' ' ' ALA . 12.3 p -144.51 153.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 19.5 t -112.84 -79.19 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.42 150.84 23.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.59 57.98 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -134.94 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -52.57 130.58 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.497 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -114.69 136.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.1 m-85 -91.13 111.09 22.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 12.7 t -83.2 120.34 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.3 -44.82 4.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.454 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.4 ttm180 -69.34 -72.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.702 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.7 t 75.91 78.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.0 mm-40 -104.23 150.88 24.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -2.91 32.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.11 93.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.49 -31.29 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 56.4 m95 -100.7 158.63 15.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.702 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.14 125.84 30.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 108.072 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.8 tt0 -98.65 120.6 39.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.17 -156.59 6.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.47 132.46 29.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 0.755 . . . . 0.0 110.465 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 33' ' ' ASP . 64.2 tp -110.24 167.18 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 50' ' ' LEU . 48.3 m-80 -46.57 92.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.31 30.2 75.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -136.79 168.54 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' GLY . 21.7 m -159.86 170.88 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.605 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.57 -159.11 21.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.43 151.14 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 14.8 p90 -157.3 162.92 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.4 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.671 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 83.7 p -91.03 -12.52 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -76.75 -51.13 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.0 -44.33 82.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 59' ' ' SER . 4.1 m -76.77 169.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -113.54 145.38 41.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.735 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.1 tt0 -90.22 149.84 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 34' ' ' ILE . 18.1 mt -108.11 -62.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.48 122.43 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -85.09 -21.87 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -82.02 -9.28 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.084 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.57 123.43 46.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -89.87 110.42 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' GLU . 33.6 m -133.55 132.77 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.3 tppt? -94.19 143.96 25.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -59.76 -178.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -121.73 -53.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.6 p90 -147.52 167.12 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 10.9 m120 -47.19 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 1.203 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.6 t80 -111.46 110.09 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -84.42 139.11 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.6 pt20 -76.51 146.37 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -78.26 -12.88 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 29.2 m-20 -174.29 170.04 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -4.9 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -81.77 -41.14 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.595 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -78.57 179.78 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.05 167.68 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.1 t -135.58 122.3 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.807 HG12 HD22 ' A' ' 50' ' ' LEU . 14.2 m -135.2 156.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.41 -88.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 144.33 31.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 49.74 64.54 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.4 m-20 -142.28 91.53 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.2 132.49 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.78 135.19 60.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.4 m-85 -93.98 111.1 22.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 40' ' ' VAL . 13.0 t -81.49 119.33 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -44.68 4.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -68.97 -72.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 37' ' ' VAL . 21.5 t 75.61 78.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.3 mm-40 -104.12 151.05 23.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.31 -4.39 29.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.08 -46.33 91.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.36 -30.69 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 0.833 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.595 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 48.7 m95 -100.83 158.76 15.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.652 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.3 127.3 33.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 107.992 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.0 tt0 -100.35 120.48 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -139.42 -155.38 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.06 133.92 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.376 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -111.72 167.34 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -45.73 93.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 64.7 28.75 73.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.97 169.71 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.61 169.07 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.91 -168.94 22.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.6 m95 -106.12 166.14 10.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 44.9 p90 -172.11 161.71 4.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.06 123.66 8.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 p -81.58 -22.63 37.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.06 -36.41 77.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.8 m-85 -68.72 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 15' ' ' ALA . 4.0 m -63.32 153.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' LYS . 10.2 ttt180 -96.4 157.16 16.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -100.44 137.71 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 32.1 mm -103.49 -41.14 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 109.56 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -12.87 57.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -92.9 -9.35 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -105.62 120.29 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -90.36 108.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.5 m -130.95 142.5 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.2 tppt? -104.96 142.43 34.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -60.79 178.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -114.81 -52.33 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 17.3 p90 -147.89 178.99 8.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 57.0 m-20 -54.61 109.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HB3' HG23 ' A' ' 29' ' ' VAL . 87.6 t80 -115.17 129.58 56.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -102.44 139.75 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 11.5 pt20 -85.24 144.15 28.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -70.75 -19.5 62.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 34.5 m-20 -174.0 159.83 3.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.2 -20.16 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -65.93 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -81.4 175.86 10.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 110.246 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.09 163.02 15.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -141.49 133.22 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.968 HG12 HD22 ' A' ' 50' ' ' LEU . 14.4 m -140.17 150.26 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.05 -77.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 148.81 27.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.63 65.0 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 10.8 m-20 -137.25 87.61 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.41 126.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.565 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mp -113.75 146.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.7 m-85 -106.2 111.04 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG22 ' A' ' 40' ' ' VAL . 10.7 t -82.96 120.76 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.15 -43.98 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -71.57 -73.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.1 t 77.41 78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.6 mm-40 -103.84 150.04 24.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.49 -0.27 38.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.82 95.8 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.15 -32.17 0.36 Allowed Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 59.9 m95 -100.6 157.99 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.806 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.96 125.38 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.063 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.6 tt0 -97.52 122.76 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.91 -157.1 7.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.76 133.68 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.968 HD22 HG12 ' A' ' 29' ' ' VAL . 63.1 tp -111.89 167.29 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.495 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.6 m-80 -46.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 68.37 27.9 73.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -136.11 166.3 23.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.3 t -160.56 170.92 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.578 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.53 -173.63 18.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 32.7 m95 -98.73 156.59 16.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 40.4 p90 -162.64 161.28 19.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.69 8.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.0 t -84.88 -16.59 40.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -71.57 -41.38 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -64.1 -61.78 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 15' ' ' ALA . 3.3 m -62.75 -177.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -132.82 144.23 50.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.731 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.4 tt0 -89.67 146.94 24.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.527 ' CD1' HD11 ' A' ' 34' ' ' ILE . 11.9 mt -105.34 -58.45 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -46.67 134.17 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -26.98 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -75.86 -9.47 58.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.589 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -109.31 118.72 37.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -90.05 103.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 11' ' ' LEU . 23.8 m -125.11 135.47 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -93.55 136.95 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.871 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -57.24 162.84 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -102.08 -46.99 4.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 26.5 p90 -147.98 -171.56 3.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 5.5 t-20 -73.78 105.41 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' HB3' HG12 ' A' ' 29' ' ' VAL . 30.8 t80 -96.91 138.37 34.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 117.61 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.7 pt20 -67.47 141.33 56.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.87 -12.22 59.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.8 m120 -168.38 169.51 10.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -5.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.37 -37.86 25.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -178.2 5.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -98.28 162.6 13.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.7 t -138.11 139.95 39.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.871 HG21 ' HB2' ' A' ' 15' ' ' ALA . 8.0 p -146.47 156.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.3 t -113.73 -86.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 143.65 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.27 63.94 4.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.498 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -141.47 89.94 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -52.81 126.99 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.504 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.02 150.23 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 34.6 m-85 -107.79 111.07 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 40' ' ' VAL . 10.8 t -84.4 120.33 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.37 -44.55 4.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.7 ttm180 -69.45 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.817 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.6 t 75.74 75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -100.15 149.23 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.81 0.46 41.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.01 -44.65 97.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.51 -31.94 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -100.95 156.83 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.817 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.13 131.11 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 7.3 tt0 -103.27 121.47 42.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.37 -158.65 7.62 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.01 132.32 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.423 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.2 tp -111.13 167.38 10.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.485 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.4 m-80 -45.99 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.86 29.64 74.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -135.78 166.97 22.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 0.793 . . . . 0.0 110.36 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.488 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.7 t -160.16 170.59 20.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.51 -158.7 21.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 26.2 m95 -112.84 152.59 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.548 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 4.7 p90 -158.15 161.74 28.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.716 ' HA ' HG22 ' A' ' 62' ' ' VAL . 5.7 t -92.14 -53.69 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' SER . 7.8 m-20 -39.8 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 37.4 m-85 -73.19 -59.65 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.1 m -65.13 150.2 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.04 159.17 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' CD ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -110.26 139.04 45.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 31.7 mm -99.43 -47.18 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 122.35 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.6 m -94.24 -11.43 30.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 -9.34 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -111.65 121.55 45.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -91.74 110.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 64' ' ' GLU . 6.3 m -130.72 142.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.7 tppt? -102.75 141.02 36.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -176.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.381 1.05 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.07 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 13.3 p90 -146.12 177.08 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 23.1 m-80 -58.77 101.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -103.32 146.5 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.67 133.16 56.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -78.91 146.71 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 26' ' ' GLU . 8.8 t -80.81 -23.45 39.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -157.83 175.67 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -10.9 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.59 10.84 37.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' OE1' HG22 ' A' ' 22' ' ' THR . 13.4 tt0 -115.94 150.36 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.51 117.96 19.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.11 111.42 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -118.28 150.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -112.16 -79.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 138.23 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.73 63.11 5.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -140.52 91.83 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.09 134.67 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.717 HD11 HG11 ' A' ' 29' ' ' VAL . 1.4 mt -120.01 148.27 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.9 m-85 -105.06 110.74 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.744 HG12 HG22 ' A' ' 40' ' ' VAL . 13.1 t -82.59 117.97 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.14 -44.5 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.9 tpm_? -68.5 -69.81 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.744 HG22 HG12 ' A' ' 37' ' ' VAL . 34.2 t 72.33 75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.14 119.41 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.61 0.04 21.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.41 -47.2 92.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.38 -37.15 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -100.35 163.18 12.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -135.81 125.48 25.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.5 tt0 -99.13 121.81 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.57 -159.27 8.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.25 128.17 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.383 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.2 tp -108.99 167.89 9.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -45.25 91.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.09 28.95 74.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 5.1 mtt85 -135.98 159.05 42.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.458 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 56.5 m -157.62 148.77 21.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 160.15 -171.18 36.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.405 1.066 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 30.3 m95 -109.55 130.56 55.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' ILE . 47.6 p90 -139.8 160.32 61.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.81 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 47.8 t -81.72 -21.98 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.61 -39.29 91.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.19 -62.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.9 m -61.01 -177.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -129.94 134.98 47.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 34' ' ' ILE . 5.5 mt -105.48 -58.82 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -44.4 112.57 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -80.93 -15.8 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -85.32 -9.37 57.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.605 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -123.83 121.14 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.7 mp -91.58 111.6 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 62' ' ' VAL . 5.3 m -132.17 131.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.695 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -86.76 132.98 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -54.58 151.13 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HD2' ' CA ' ' A' ' 61' ' ' TYR . 2.2 ttt85 -81.7 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' CYS . 38.9 p90 -148.53 -169.57 3.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.99 121.19 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 29' ' ' VAL . 73.8 t80 -132.07 104.68 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -77.54 136.69 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 10.6 pt20 -83.97 148.0 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 p -84.71 -23.02 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 20.7 m-80 -156.03 173.43 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -71.6 -20.42 61.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.81 7.5 20.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -110.82 149.52 30.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -77.3 117.0 18.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.448 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 1.2 p -97.56 112.24 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.779 HG12 HD22 ' A' ' 50' ' ' LEU . 24.4 m -125.06 137.42 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -102.71 -72.09 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.57 149.19 13.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.49 59.59 5.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.458 ' OD2' HD21 ' A' ' 50' ' ' LEU . 1.3 m-20 -138.68 88.85 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.695 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -57.29 130.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.515 HD11 HG11 ' A' ' 29' ' ' VAL . 1.6 mp -115.29 140.2 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.511 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 35.5 m-85 -93.89 110.82 22.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.766 HG12 HG22 ' A' ' 40' ' ' VAL . 14.7 t -81.81 118.59 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.91 -43.49 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 3.5 ttt180 -70.95 -72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.766 HG22 HG12 ' A' ' 37' ' ' VAL . 20.9 t 76.49 78.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 mm-40 -103.74 149.9 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.61 -1.8 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.54 -46.08 94.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.47 -32.17 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -100.6 160.26 14.5 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.83 127.93 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.038 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 4.5 tt0 -99.61 119.33 37.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.18 -159.7 8.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.42 131.85 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.417 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -110.75 166.79 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' H ' HD12 ' A' ' 50' ' ' LEU . 45.9 m-80 -42.7 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 60.29 38.47 94.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -135.7 171.0 15.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.697 ' C ' HD22 ' A' ' 27' ' ' LEU . 9.1 t -158.86 163.55 36.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.59 -171.25 20.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.549 1.156 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 20.8 m95 -107.74 173.36 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -175.89 159.28 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.04 127.5 10.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.3 p -89.45 -28.0 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -42.4 -33.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -95.94 -57.99 2.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.456 1.098 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -43.36 117.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.8 tpt180 -82.39 143.55 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.6 tt0 -90.31 152.61 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.92 -55.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -48.42 129.59 15.99 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -13.49 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -9.31 31.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.638 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.02 121.7 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.223 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp -91.52 106.56 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.9 m -128.7 142.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.3 tppt? -98.36 141.25 31.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -68.86 155.59 39.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -82.21 -60.75 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' CYS . 44.9 p90 -148.66 -169.35 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -59.44 109.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HB3' HG12 ' A' ' 29' ' ' VAL . 50.7 t80 -106.82 134.4 50.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -104.72 127.87 52.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.9 pt20 -79.49 143.22 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -71.93 -15.56 62.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.7 m120 -175.55 160.48 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.4 -16.76 10.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.95 -37.22 72.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -82.03 179.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -94.25 162.72 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -141.85 126.54 18.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' ' 15' ' ' ALA . 9.8 p -129.06 156.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -111.03 -75.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 153.32 14.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.47 63.75 1.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.61 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -139.34 90.08 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -52.45 125.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.485 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.01 143.76 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.541 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.9 m-85 -99.63 110.57 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.682 HG12 HG22 ' A' ' 40' ' ' VAL . 9.9 t -83.05 118.11 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -107.21 -45.0 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.1 tpm_? -67.54 -69.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 37' ' ' VAL . 40.4 t 71.33 76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.61 117.96 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.15 -3.62 27.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.95 -47.24 88.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.22 -34.97 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 61.9 m95 -100.45 157.13 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.651 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.82 120.31 21.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 2.2 tt0 -95.21 125.1 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.5 -158.8 7.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -137.88 127.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.99 167.15 10.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.461 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.0 m-80 -46.18 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.81 28.42 73.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -134.68 166.06 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 27' ' ' LEU . 9.2 m -158.27 170.88 21.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.631 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 130.85 -159.11 22.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.602 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 21.3 m95 -118.45 141.85 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.599 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 3.1 p90 -144.37 161.45 44.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.03 112.6 3.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 62' ' ' VAL . 65.8 p -75.56 -37.05 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -38.31 54.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -72.9 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 59' ' ' SER . 5.1 m -63.31 149.36 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 62.5 ttt180 -94.47 146.79 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -95.59 149.03 21.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mm -106.49 -64.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -42.03 115.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.5 p -87.02 -8.72 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.4 p -94.0 -9.32 37.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.25 118.14 35.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' ILE . 2.7 mp -89.93 111.22 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 64' ' ' GLU . 28.8 m -136.19 130.11 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.654 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.2 tppt? -81.9 140.73 33.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -59.73 -178.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -123.23 -48.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 24.0 p90 -147.67 -170.67 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.539 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 10.9 m-20 -77.11 106.47 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' HB3' HG12 ' A' ' 29' ' ' VAL . 26.3 t80 -94.05 148.53 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -122.02 115.46 22.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 9.6 pt20 -68.48 143.96 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.91 -14.17 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.436 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 37.8 m-20 -172.01 172.66 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -72.47 -8.49 55.37 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -30.15 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 1.9 tt0 -86.98 -170.44 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 54' ' ' THR . 0.6 OUTLIER -109.57 160.61 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' HD23 ' A' ' 27' ' ' LEU . 48.4 t -136.58 144.46 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 15' ' ' ALA . 11.9 p -147.01 149.72 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -78.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.257 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 152.66 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.04 59.07 3.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.564 ' HB3' HD11 ' A' ' 50' ' ' LEU . 3.2 m-20 -136.79 86.85 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.73 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.14 133.11 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.68 140.98 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.535 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.7 m-85 -95.65 110.27 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.816 HG12 HG22 ' A' ' 40' ' ' VAL . 12.4 t -82.29 125.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -49.32 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 8.5 ttm180 -71.43 -68.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG12 ' A' ' 37' ' ' VAL . 14.8 t 76.0 74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 mt-10 -105.43 120.77 42.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.52 1.15 20.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.057 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.47 -49.89 58.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.52 -44.39 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.552 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 45.3 m95 -100.44 173.77 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.791 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -139.57 133.17 30.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.967 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.0 tt0 -102.58 110.9 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.0 -158.29 8.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -141.93 136.24 30.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 110.424 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 33' ' ' ASP . 59.7 tp -112.9 168.33 9.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.423 ' H ' HD12 ' A' ' 50' ' ' LEU . 46.5 m-80 -45.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.9 32.22 80.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 3.1 mtt85 -137.22 167.02 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.647 ' C ' HD12 ' A' ' 27' ' ' LEU . 14.6 t -159.85 168.57 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.618 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 126.25 -163.56 20.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 40.3 m95 -103.67 158.45 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' A' ' 62' ' ' VAL . 12.0 p90 -162.73 162.93 18.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.09 121.83 6.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 62' ' ' VAL . 13.4 p -90.54 -53.98 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -41.3 -38.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 44.5 m-85 -67.67 -59.15 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.8 m -67.86 149.9 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -91.3 154.58 19.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.845 ' HA ' HG12 ' A' ' 13' ' ' VAL . 23.5 tt0 -97.92 149.77 22.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -108.44 -55.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -49.91 121.64 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -88.9 -17.22 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.387 1.055 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -87.2 -9.24 55.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.3 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -120.88 121.31 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.14 108.44 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 ' O ' HD13 ' A' ' 34' ' ' ILE . 26.9 m -127.61 149.23 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.0 tppt? -108.65 145.97 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.37 157.59 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -61.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.8 p90 -148.62 -170.03 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -55.58 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.705 ' HB3' HG23 ' A' ' 29' ' ' VAL . 19.1 t80 -109.23 114.12 27.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 146.01 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.14 141.88 29.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -70.73 -21.47 62.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -167.3 158.83 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -26.91 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -46.47 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.91 178.87 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -93.02 164.64 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.462 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -138.26 135.7 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -140.1 161.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' PHE . 38.3 t -115.99 -76.94 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -174.68 132.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 59.57 52.68 51.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.855 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -114.77 -31.67 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.68 122.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mp -117.7 149.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 109.205 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 40.9 m-85 -109.2 111.2 22.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 4.9 t -81.86 122.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.55 -46.72 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' CD ' ' CH2' ' A' ' 56' ' ' TRP . 35.1 ttm-85 -69.37 -70.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.873 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 24.3 t 71.99 77.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 39' ' ' ARG . 7.9 mm-40 -110.69 162.43 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.8 pt-20 -103.59 -16.05 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -36.31 -52.59 1.31 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.83 -33.93 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -105.54 161.39 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.873 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -127.8 128.4 45.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.037 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 15.4 tt0 -98.25 122.28 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.69 -159.04 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.07 136.39 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 33' ' ' ASP . 61.6 tp -116.82 167.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 50' ' ' LEU . 51.4 m-80 -44.44 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.01 31.69 81.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -134.25 168.54 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.95 170.33 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.97 -163.28 22.37 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 39' ' ' ARG . 18.9 m95 -112.37 170.99 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 51.4 p90 -175.48 161.12 2.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.94 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.511 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 87.9 p -73.62 -23.81 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.07 -35.64 81.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.4 m-85 -71.72 -62.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.07 145.26 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.13 162.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.44 138.15 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 27.4 mm -102.22 -49.0 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.98 121.85 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -91.65 -13.65 31.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.092 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -95.28 -9.32 33.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.3 121.8 44.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -93.78 112.64 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 64' ' ' GLU . 21.5 m -135.45 137.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.5 tppt? -94.25 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.46 146.53 54.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -72.75 -67.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.3 p90 -147.62 -170.83 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.22 112.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 19.8 t80 -126.79 96.14 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.6 132.95 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -77.7 142.1 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -75.37 -12.12 60.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -157.52 150.92 23.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -8.58 31.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.77 -30.99 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 56' ' ' TRP . 3.1 tt0 -71.7 175.96 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -83.86 125.98 32.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.9 108.3 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -118.49 148.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' PHE . 3.0 t -111.48 -68.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 108.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 144.7 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.89 64.16 3.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 42.6 m-20 -143.68 94.66 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.91 139.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.741 HD11 HG11 ' A' ' 29' ' ' VAL . 2.5 mt -125.61 149.42 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 33.8 m-85 -107.79 110.71 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.771 HG12 HG22 ' A' ' 40' ' ' VAL . 15.4 t -80.2 120.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.55 -44.68 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 5.2 ttm180 -70.96 -73.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.771 HG22 HG12 ' A' ' 37' ' ' VAL . 17.2 t 77.9 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 1.5 mm-40 -100.26 148.54 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.26 -1.56 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 -45.17 97.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.98 -31.11 0.4 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -100.96 157.8 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.21 132.89 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.7 tt0 -106.83 115.85 30.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.07 -153.72 7.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -143.46 132.46 22.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 33' ' ' ASP . 60.8 tp -109.94 166.82 10.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.521 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -45.07 92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 65.57 33.88 87.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.93 169.06 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.681 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -159.55 165.33 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 133.84 -160.05 23.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.51 175.19 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 16.8 p90 178.99 160.43 0.7 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.6 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.588 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 86.2 p -72.85 -32.29 65.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -35.96 77.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.9 m-85 -70.56 -59.5 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 58' ' ' PRO . 2.3 m -53.08 -179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -118.71 145.36 45.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -92.47 138.52 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.598 HG13 HD11 ' A' ' 34' ' ' ILE . 24.2 mm -105.14 -34.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -86.54 119.44 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -82.63 -25.69 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -11.23 60.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 23.7 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -122.37 124.65 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -94.84 111.92 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.624 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.6 m -130.44 133.57 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -90.19 130.42 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -50.33 159.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -89.62 -63.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.75 -175.49 5.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -53.5 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 58.7 t80 -105.46 144.3 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -112.77 133.09 54.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -77.91 144.0 37.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.1 p -76.39 -20.98 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.0 167.32 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.34 -6.11 48.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.11 -30.25 14.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -70.33 168.58 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.4 146.83 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 112.0 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.047 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -121.01 149.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.34 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.44 132.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.87 51.11 54.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.646 ' HB3' HD11 ' A' ' 50' ' ' LEU . 12.6 m-20 -133.03 88.27 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.717 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -55.91 135.47 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.047 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.26 138.1 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.521 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.6 m-85 -90.96 111.01 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 40' ' ' VAL . 5.0 t -82.06 120.71 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 -44.1 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 3.5 tpt180 -72.82 -73.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.782 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.0 t 77.32 77.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -102.54 151.25 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.21 -2.5 33.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.63 95.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.3 -30.97 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 52.1 m95 -101.38 154.86 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.782 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -130.68 129.25 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.6 tt0 -100.45 113.12 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.39 -152.82 7.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -148.95 134.08 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.462 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 33' ' ' ASP . 62.1 tp -112.36 168.59 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -46.74 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 70.93 28.02 71.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.536 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.56 157.45 46.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.495 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 96.9 m -158.11 145.44 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.81 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.23 -158.14 28.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.7 m95 -108.62 168.56 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -174.18 161.03 2.89 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -74.98 125.05 9.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' ASN . 87.4 p -91.61 -31.37 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' SER . 63.0 m-20 -39.62 -35.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -96.28 -56.22 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -44.05 117.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.82 140.68 32.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.236 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.2 tt0 -89.19 147.13 24.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mm -106.32 -56.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -49.76 119.95 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -89.33 -17.19 29.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -9.26 56.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.34 117.62 32.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 65' ' ' ILE . 1.8 mp -84.01 107.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 64' ' ' GLU . 34.4 m -126.89 144.5 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.1 tppt? -107.69 141.61 38.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.64 170.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -109.0 -58.37 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.1 p90 -146.07 167.46 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -49.5 93.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.2 t80 -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 111.082 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.83 129.1 55.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.26 142.09 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -74.99 -19.71 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -151.75 164.44 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.84 -9.51 58.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.27 -14.22 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -87.17 166.37 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -77.81 124.42 27.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.71 104.06 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -107.63 168.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -130.71 -64.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -175.37 140.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 44.44 60.37 3.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.535 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.25 -36.18 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.625 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.22 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -118.02 136.6 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' THR . 47.3 m-85 -98.33 111.29 23.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 HG22 ' A' ' 40' ' ' VAL . 9.1 t -77.73 122.44 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.39 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.8 ttm180 -73.37 -73.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 16.3 t 79.52 77.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.8 mm-40 -103.76 151.07 23.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -4.4 29.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.06 -47.94 64.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.53 -33.86 0.29 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.548 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 58.5 m95 -100.88 164.22 11.93 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.768 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.01 133.28 37.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 10.7 tt0 -105.68 115.97 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.57 -152.24 7.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.27 134.03 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.438 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 27' ' ' LEU . 60.2 tp -112.98 167.83 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.483 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.6 m-80 -45.94 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.64 31.14 75.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HD2' HD23 ' A' ' 50' ' ' LEU . 1.3 mtt85 -138.28 159.48 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.505 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 92.4 m -157.65 146.93 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.866 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.57 -162.29 31.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 38.0 m95 -107.96 163.37 13.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -170.78 161.85 5.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.91 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.9 p -79.1 -15.71 57.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.01 -35.41 66.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.9 m-85 -70.43 -63.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.14 -177.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -129.83 151.28 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.659 ' HA ' HG12 ' A' ' 13' ' ' VAL . 26.5 tt0 -93.42 154.2 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' HG22 ' A' ' 12' ' ' ILE . 11.9 mm -110.38 -61.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 131.26 8.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -93.66 -12.65 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -9.32 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.366 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -113.04 122.02 46.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -90.49 111.39 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' ' 64' ' ' GLU . 32.1 m -135.89 139.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CE ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -99.35 141.42 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 177.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -112.05 -53.64 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -147.52 175.03 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 m120 -57.39 95.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.31 154.81 17.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.84 132.31 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -80.99 140.78 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 -17.37 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -164.36 153.73 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.88 -16.3 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -33.92 51.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -76.99 171.15 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.7 138.15 38.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -119.81 91.19 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 35' ' ' ILE . 23.1 m -105.68 144.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 55.8 m -111.63 -79.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 136.65 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.4 62.3 6.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.785 ' HB3' HD11 ' A' ' 50' ' ' LEU . 22.6 m-20 -138.91 90.58 2.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.612 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.37 129.67 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 29' ' ' VAL . 1.8 mt -118.74 140.18 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 m-85 -99.14 111.42 23.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 40' ' ' VAL . 12.3 t -80.78 121.3 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -43.4 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.397 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -73.22 -73.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.743 HG22 HG12 ' A' ' 37' ' ' VAL . 16.4 t 78.52 77.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 4.2 mm-40 -103.19 150.04 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.45 -3.33 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.11 94.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.5 -31.44 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 55.3 m95 -101.12 158.2 16.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.706 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.22 130.43 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 9.4 tt0 -103.41 117.36 34.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -136.59 -155.55 7.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.63 168.11 9.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -44.95 92.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 32.42 81.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.16 167.01 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 0.728 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.519 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 13.4 m -159.63 151.46 20.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.702 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 146.99 -171.67 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 35.2 m95 -99.51 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 30.4 p90 -169.05 161.72 7.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.512 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.9 112.34 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.556 ' HA ' HG22 ' A' ' 62' ' ' VAL . 10.3 p -81.46 -34.65 31.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -51.8 -41.43 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 26.6 m-85 -68.98 -61.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.3 m -57.26 160.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 152.95 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.729 ' HA ' HG12 ' A' ' 13' ' ' VAL . 31.3 tt0 -90.04 150.48 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 34' ' ' ILE . 13.3 mm -110.77 -37.9 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -90.46 102.94 15.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 p -71.5 -20.35 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -9.58 58.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.63 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.89 118.85 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -87.98 103.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' C ' HD13 ' A' ' 34' ' ' ILE . 33.4 m -123.1 139.44 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.3 tppt? -101.2 144.88 29.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 161.91 29.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -62.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -149.78 176.13 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.55 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . 79.9 t80 -102.62 142.42 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -111.63 139.57 46.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' CG ' ' OG ' ' A' ' 28' ' ' SER . 7.2 pt20 -88.52 144.94 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.7 p -73.24 -18.82 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 10.2 m120 -153.94 155.2 35.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 53' ' ' ARG . 1.1 pm0 -67.29 -9.88 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.34 -33.3 22.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -71.44 -177.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.08 129.11 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -115.16 104.6 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.945 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.15 149.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.6 m -108.88 -86.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 129.46 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.19 60.58 6.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.632 ' HB3' HD11 ' A' ' 50' ' ' LEU . 44.5 m-20 -137.45 89.96 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -56.26 131.63 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.945 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -119.24 138.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 36.0 m-85 -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HG22 ' A' ' 40' ' ' VAL . 13.8 t -81.61 122.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -44.57 4.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -71.95 -73.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.857 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 15.7 t 77.56 77.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.9 mm-40 -103.57 150.16 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.4 1.04 40.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.32 -45.54 95.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.595 1.184 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.6 -32.52 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.3 m95 -100.91 156.51 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.857 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.89 127.5 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 108.04 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.5 tt0 -98.5 118.09 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -135.43 -160.02 8.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.71 127.17 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.385 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 33' ' ' ASP . 66.4 tp -110.78 168.15 9.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 1.087 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -45.11 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 59.69 39.46 95.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -152.29 119.26 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.513 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 18.9 m -116.72 154.05 31.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 153.08 -176.43 31.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 38.2 m95 -96.8 168.77 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -178.54 160.84 1.13 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 124.65 8.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 62' ' ' VAL . 12.9 p -88.21 -38.77 15.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -50.14 -32.97 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.213 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 18.0 m-85 -77.64 -54.16 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.7 m -67.82 149.16 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -85.34 158.73 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -109.91 137.87 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 38.7 mm -100.26 -58.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.31 121.89 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -92.3 -12.6 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -9.25 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.28 122.71 46.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.421 1.075 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.54 HG23 HD12 ' A' ' 34' ' ' ILE . 2.5 mp -89.09 110.03 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 64' ' ' GLU . 35.9 m -133.44 135.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -94.72 140.77 29.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -65.95 162.47 19.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 1.3 ttm180 -90.03 -59.07 2.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' CYS . 37.0 p90 -148.71 -169.45 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -56.31 119.44 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' A' ' 29' ' ' VAL . 21.6 t80 -125.6 121.11 32.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 139.7 32.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -84.85 148.06 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -77.87 -20.58 52.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -165.38 172.59 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -13.49 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -27.07 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 2.9 tt0 -92.31 163.8 13.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -82.1 167.01 19.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.51 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 t -144.46 134.33 23.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 50' ' ' LEU . 6.9 m -141.71 146.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -104.16 -77.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.73 147.09 21.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.65 62.68 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.505 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -137.22 88.64 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -53.46 129.94 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -115.32 150.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 28.2 m-85 -108.69 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 40' ' ' VAL . 14.2 t -82.34 120.42 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.23 -44.73 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 4.1 ttm180 -70.07 -74.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 37' ' ' VAL . 18.9 t 78.22 77.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.7 mm-40 -103.97 149.89 24.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.4 -0.65 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.59 93.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.39 -31.92 0.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.607 0.828 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.539 ' CZ3' ' CD ' ' A' ' 26' ' ' GLU . 67.4 m95 -100.97 161.84 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.708 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -136.12 123.39 21.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 8.2 tt0 -96.0 122.17 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.32 -156.1 6.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.83 133.68 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 29' ' ' VAL . 63.0 tp -111.4 167.6 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.488 ' H ' HD12 ' A' ' 50' ' ' LEU . 57.2 m-80 -46.03 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.4 30.31 76.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -135.95 168.53 19.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.91 170.52 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.93 -172.93 19.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.0 m95 -101.51 156.47 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 38.3 p90 -163.18 161.78 18.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 127.67 10.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 88.4 p -85.65 -35.01 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -60.56 -39.1 86.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 9.1 m-85 -63.93 -58.65 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 15' ' ' ALA . 11.9 m -67.32 161.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HG3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -98.76 155.37 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -100.26 138.28 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 44.5 mm -102.61 -36.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -82.42 108.71 16.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.8 p -76.64 -21.64 55.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.02 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.8 t -73.92 -9.71 58.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.95 121.92 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 HG23 HD12 ' A' ' 34' ' ' ILE . 2.3 mp -91.54 104.4 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' ILE . 22.5 m -123.72 141.77 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 7.7 tppt? -97.64 149.86 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -70.31 150.03 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -45.55 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 14.3 p90 -148.61 179.25 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.09 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 39.4 m-20 -69.1 107.74 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' HB3' HG12 ' A' ' 29' ' ' VAL . 51.5 t80 -96.64 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.92 124.22 48.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.81 147.71 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.061 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -90.53 -21.95 21.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -153.46 174.97 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -22.44 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -83.3 2.23 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.41 147.23 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.07 117.07 18.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.31 102.78 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.845 HG21 HD11 ' A' ' 35' ' ' ILE . 5.4 p -108.11 155.15 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 m -120.09 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.25 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -144.91 143.78 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.74 64.22 3.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.585 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -141.59 93.53 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -55.83 128.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 29' ' ' VAL . 2.1 mt -116.59 139.58 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.527 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 45.2 m-85 -95.68 111.4 23.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.2 t -83.59 119.87 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -44.54 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.2 tpm_? -69.02 -71.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.82 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 35.3 t 72.83 79.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.17 151.06 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -100.35 -4.14 29.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.51 -45.16 96.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.09 -30.5 0.43 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -100.76 154.36 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.82 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -130.69 131.11 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 107.974 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 3.8 tt0 -104.66 123.71 48.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.8 -151.93 5.84 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.56 1.162 . . . . 0.0 111.053 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.41 129.25 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 27' ' ' LEU . 64.6 tp -109.92 167.78 9.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -46.39 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.45 30.11 71.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.615 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -139.45 158.59 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.712 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 48.4 m -159.25 151.34 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 151.97 -146.54 15.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 15.7 m95 -125.15 158.05 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -161.11 162.47 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.2 Cg_endo -75.08 116.7 4.65 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.566 1.824 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' TYR . 1.6 t -86.19 -36.71 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -39.98 -29.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' SER . 28.8 m-85 -96.84 -53.01 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -45.11 148.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.327 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.69 145.04 28.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -100.9 137.5 39.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 24.3 mm -103.46 -59.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.67 127.34 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -94.14 -17.18 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -96.18 -9.38 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.1 pp20? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -106.04 120.89 42.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.17 109.45 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.579 ' C ' HD13 ' A' ' 34' ' ' ILE . 21.3 m -132.85 141.47 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.4 tppt? -97.96 139.52 33.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -55.58 164.35 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -97.25 -60.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.21 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 15.3 p90 -148.63 -175.55 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -56.94 105.48 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -115.24 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 141.79 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.78 143.73 30.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 p -75.88 -16.74 60.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -171.99 162.72 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.62 -12.78 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -36.54 60.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.605 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -86.58 174.44 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -88.81 171.41 9.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.775 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.85 129.38 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.963 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.987 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -136.52 158.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.2 m -115.78 -83.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.244 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 138.29 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.65 62.85 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.628 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -143.34 92.82 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.67 HD11 HG13 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -56.48 132.54 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -121.23 140.08 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 38.3 m-85 -97.24 110.85 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 40' ' ' VAL . 10.5 t -83.18 118.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.05 -45.19 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.5 tpm_? -66.8 -69.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.192 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 37' ' ' VAL . 42.4 t 70.93 77.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.85 126.79 52.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.58 1.36 30.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.56 94.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.06 -35.37 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.605 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.5 m95 -100.58 157.84 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.21 128.78 38.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.7 tt0 -103.04 121.73 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.09 -161.5 8.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -136.66 125.85 24.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.987 HD22 HG12 ' A' ' 29' ' ' VAL . 62.1 tp -103.41 167.67 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.2 m-80 -46.68 91.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.37 26.73 74.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.06 166.48 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 t -159.88 170.31 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.579 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.52 -162.97 23.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 29.5 m95 -112.55 148.6 34.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 48.2 p90 -153.58 159.4 32.15 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.99 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -92.14 -26.33 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -47.46 -32.86 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -95.89 -54.67 3.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.88 139.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -89.35 142.73 27.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.24 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -94.04 139.31 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.67 HG13 HD11 ' A' ' 34' ' ' ILE . 46.9 mm -106.71 -47.87 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 5.5 ttpt -77.99 102.06 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -21.6 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -10.88 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' CB ' HD21 ' A' ' 11' ' ' LEU . 4.6 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.05 122.54 47.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.756 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -85.86 114.81 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 64' ' ' GLU . 27.1 m -136.35 140.49 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' CD ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -94.84 154.58 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.82 151.33 24.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -63.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.1 p90 -148.29 -169.62 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -54.52 106.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' HB3' HG23 ' A' ' 29' ' ' VAL . 33.6 t80 -115.2 113.32 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -93.72 132.2 38.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -73.33 146.09 45.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -75.96 -15.54 60.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -169.4 161.33 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -20.6 65.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -45.6 87.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.192 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -179.85 6.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -95.94 158.63 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 13.1 t -133.35 137.56 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -139.96 169.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.3 m -126.89 -77.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.259 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -159.63 142.11 13.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.17 56.22 2.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -102.95 -27.84 12.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.756 HD12 HG23 ' A' ' 12' ' ' ILE . 0.7 OUTLIER 67.81 113.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.668 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -115.56 149.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.532 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 26.1 m-85 -108.6 110.24 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.8 t -82.36 120.42 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.6 -46.27 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 3.7 ttm180 -62.63 -75.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.644 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 47.9 t 69.19 83.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 39' ' ' ARG . 5.9 mm-40 -127.26 177.02 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 44' ' ' GLY . 6.2 pt-20 -103.64 -11.53 17.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -37.11 -30.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLU . . . 133.74 -36.5 2.11 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -100.61 174.93 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.644 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -137.78 123.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.2 tt0 -93.91 116.64 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -133.2 -161.95 9.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.72 136.88 29.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.42 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 33' ' ' ASP . 55.3 tp -116.69 168.22 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.508 ' H ' HD12 ' A' ' 50' ' ' LEU . 44.4 m-80 -43.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.31 36.2 93.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 3.6 mtt-85 -138.04 167.95 20.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.628 ' C ' HD12 ' A' ' 27' ' ' LEU . 4.9 t -160.11 171.12 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 125.79 -173.62 17.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 110.961 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 33.1 m95 -101.0 173.81 6.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 55.7 p90 -179.09 160.9 1.0 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.9 t -79.87 -17.56 52.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.15 -30.88 67.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 6.0 m-85 -79.7 -53.08 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -69.51 139.18 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.1 ttt180 -82.57 156.28 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.0 tt0 -103.09 147.65 26.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' HB ' HG22 ' A' ' 12' ' ' ILE . 49.1 mm -106.88 -49.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -59.52 119.93 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -12.53 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -91.56 -9.33 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -145.22 -58.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.19 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -153.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.14 80.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -79.25 110.45 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.028 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.1 -80.4 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -157.02 128.31 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 74' ' ' SER . 1.7 t60 -101.98 18.71 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -41.34 137.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.99 124.32 48.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.573 ' CG2' HD12 ' A' ' 34' ' ' ILE . 3.2 mp -92.74 112.6 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 64' ' ' GLU . 26.8 m -132.33 134.94 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.8 tppt? -92.95 144.29 25.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 168.01 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -103.97 -58.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.77 -175.01 4.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -59.45 103.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.3 t80 -114.98 113.85 24.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -89.54 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.15 138.36 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 p -74.27 -26.05 59.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -158.03 160.63 37.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.26 -24.59 67.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -37.33 84.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' OE1' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -86.47 177.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.69 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -92.25 170.88 9.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.69 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -148.24 122.59 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.021 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -129.55 154.1 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.31 -79.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.81 144.73 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.52 64.39 3.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -142.75 91.62 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.573 HD12 ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -56.62 129.02 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mt -114.13 148.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.1 m-85 -106.22 111.53 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.764 HG12 HG22 ' A' ' 40' ' ' VAL . 10.4 t -83.79 120.34 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.26 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.379 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.9 tpm_? -70.83 -72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.808 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.8 t 75.39 77.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.55 151.42 22.9 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.13 -4.35 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.16 91.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.0 -30.75 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' OE1' ' A' ' 26' ' ' GLU . 56.9 m95 -100.79 156.82 17.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.808 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.03 125.37 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.5 tt0 -97.31 121.72 39.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.97 -157.54 7.19 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.43 132.96 25.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.021 HD22 HG12 ' A' ' 29' ' ' VAL . 64.2 tp -109.98 167.63 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 50' ' ' LEU . 50.2 m-80 -47.2 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.25 26.51 74.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.69 166.68 22.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 55' ' ' GLY . 18.9 m -160.21 170.45 21.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.547 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.02 -173.11 18.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 31.1 m95 -98.8 157.68 16.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 53.2 p90 -165.05 161.03 14.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.577 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.5 p -75.7 -42.17 51.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -51.54 -36.85 46.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.5 m-85 -67.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 m -64.03 157.69 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.77 159.59 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -107.07 138.13 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 13.2 mm -101.95 -53.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 122.86 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.47 -13.19 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.948 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 -9.24 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -98.86 -33.25 10.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -56.92 -57.49 12.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 110.324 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.92 10.42 14.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.95 86.17 0.17 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.03 5.1 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 9' ' ' HIS . 5.1 t 73.9 -69.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -158.23 -56.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -174.67 97.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 0.759 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 p -145.88 168.37 20.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 88.6 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 60.29 85.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -85.88 149.38 25.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.94 -154.65 53.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 156.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -126.58 120.77 30.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.04 148.36 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.17 126.41 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -94.38 110.34 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 64' ' ' GLU . 16.2 m -130.42 146.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.4 tppt? -106.28 144.49 32.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.72 175.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -111.12 -53.19 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 8.6 p90 -147.75 172.51 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.05 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' A' ' 29' ' ' VAL . 31.6 t80 -108.38 118.34 36.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.41 138.23 32.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.615 1.197 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.84 145.14 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.637 HG22 ' OE1' ' A' ' 26' ' ' GLU . 9.8 t -79.81 -24.34 41.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -157.68 -177.03 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -18.21 52.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.93 10.46 21.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.637 ' OE1' HG22 ' A' ' 22' ' ' THR . 16.8 tt0 -115.53 152.56 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.23 121.33 23.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -102.82 105.84 16.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.1 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -117.78 143.29 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -77.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.31 138.35 12.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.97 62.94 5.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.68 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.7 m-20 -141.4 92.29 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -56.74 136.1 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.918 HD11 HG11 ' A' ' 29' ' ' VAL . 2.2 mt -121.22 144.39 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.7 m-85 -101.09 111.4 23.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.615 HG12 HG22 ' A' ' 40' ' ' VAL . 6.3 t -84.09 116.84 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.66 -44.71 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.2 tpm_? -65.45 -70.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 37' ' ' VAL . 48.0 t 68.97 78.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.5 mm-40 -108.28 152.02 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -100.88 -5.28 26.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.2 -48.53 53.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.1 -31.08 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -100.79 167.68 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -140.8 121.27 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.2 tt0 -94.68 137.78 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -152.37 -159.06 8.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.079 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.61 127.1 16.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.3 tp -107.28 167.2 10.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.504 ' H ' HD12 ' A' ' 50' ' ' LEU . 38.9 m-80 -46.02 91.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 31.09 77.27 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.66 165.88 25.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 27' ' ' LEU . 14.8 m -160.48 165.04 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' THR . . . 140.59 -177.3 20.89 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 26.9 m95 -105.79 130.98 53.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE2' HG21 ' A' ' 35' ' ' ILE . 41.9 p90 -136.86 160.58 65.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 124.84 8.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.597 1.841 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 91.0 p -81.94 -23.69 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -35.57 81.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.7 m-85 -72.59 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.93 168.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.3 ttp180 -118.12 148.06 42.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.588 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.3 tt0 -89.69 147.59 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.451 HG13 HD11 ' A' ' 34' ' ' ILE . 50.0 mm -107.24 -54.88 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -53.91 112.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.4 m -77.92 -20.54 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.5 -9.3 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' OE1' ' CA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -91.15 -26.68 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -39.3 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.03 8.8 43.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.5 77.63 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 63.54 6.03 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m 58.94 106.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 120.81 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.132 . . . . 0.0 111.017 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.33 109.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 0.715 . . . . 0.0 109.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -172.81 102.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.03 -82.24 0.65 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -57.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -68.32 128.48 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.56 67.07 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.92 124.46 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -77.46 115.0 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 146.07 29.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.377 1.048 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.99 120.36 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -89.51 111.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 64' ' ' GLU . 24.5 m -135.8 129.13 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.4 tppt? -82.9 137.11 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -55.97 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -130.91 -49.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 22.2 p90 -146.71 -173.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.573 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 47.6 m-20 -72.89 110.67 7.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' HB3' HG12 ' A' ' 29' ' ' VAL . 37.4 t80 -97.45 148.3 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.34 117.96 27.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.64 139.12 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -10.79 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -175.75 163.35 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.07 -13.83 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.8 -37.95 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -78.84 -178.49 6.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -100.36 164.47 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 27' ' ' LEU . 29.0 t -139.18 140.81 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 15' ' ' ALA . 12.3 p -144.51 153.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 19.5 t -112.84 -79.19 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.42 150.84 23.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.59 57.98 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -134.94 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -52.57 130.58 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.497 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -114.69 136.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.1 m-85 -91.13 111.09 22.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 12.7 t -83.2 120.34 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.3 -44.82 4.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.454 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.4 ttm180 -69.34 -72.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.702 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.7 t 75.91 78.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.0 mm-40 -104.23 150.88 24.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -2.91 32.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.11 93.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.49 -31.29 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 56.4 m95 -100.7 158.63 15.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.702 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.14 125.84 30.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 108.072 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.8 tt0 -98.65 120.6 39.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.17 -156.59 6.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.47 132.46 29.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 0.755 . . . . 0.0 110.465 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 33' ' ' ASP . 64.2 tp -110.24 167.18 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 50' ' ' LEU . 48.3 m-80 -46.57 92.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.31 30.2 75.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -136.79 168.54 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' GLY . 21.7 m -159.86 170.88 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.605 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.57 -159.11 21.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.43 151.14 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 14.8 p90 -157.3 162.92 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.4 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.671 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 83.7 p -91.03 -12.52 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -76.75 -51.13 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.0 -44.33 82.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 59' ' ' SER . 4.1 m -76.77 169.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -113.54 145.38 41.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.735 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.1 tt0 -90.22 149.84 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 34' ' ' ILE . 18.1 mt -108.11 -62.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.48 122.43 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -85.09 -21.87 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -82.02 -9.28 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.084 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -27.14 13.99 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -63.86 -50.35 69.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -92.29 8.37 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.81 89.13 0.15 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -41.35 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.565 1.824 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -145.69 146.48 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.86 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.074 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -170.97 110.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -75.8 111.56 11.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.74 -170.6 7.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -142.55 129.0 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.951 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 49.38 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.02 75.94 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.89 161.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -62.96 170.16 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -161.72 111.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.57 123.43 46.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -89.87 110.42 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' GLU . 33.6 m -133.55 132.77 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.3 tppt? -94.19 143.96 25.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -59.76 -178.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -121.73 -53.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.6 p90 -147.52 167.12 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 10.9 m120 -47.19 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 1.203 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.6 t80 -111.46 110.09 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -84.42 139.11 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.6 pt20 -76.51 146.37 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -78.26 -12.88 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 29.2 m-20 -174.29 170.04 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -4.9 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -81.77 -41.14 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -78.57 179.78 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.05 167.68 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.1 t -135.58 122.3 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.807 HG12 HD22 ' A' ' 50' ' ' LEU . 14.2 m -135.2 156.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.41 -88.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 144.33 31.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 49.74 64.54 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.4 m-20 -142.28 91.53 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.2 132.49 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.78 135.19 60.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.4 m-85 -93.98 111.1 22.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 40' ' ' VAL . 13.0 t -81.49 119.33 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -44.68 4.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -68.97 -72.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 37' ' ' VAL . 21.5 t 75.61 78.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.3 mm-40 -104.12 151.05 23.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.31 -4.39 29.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.08 -46.33 91.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.36 -30.69 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 0.833 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.595 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 48.7 m95 -100.83 158.76 15.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.652 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.3 127.3 33.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 107.992 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.0 tt0 -100.35 120.48 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -139.42 -155.38 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.06 133.92 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.376 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -111.72 167.34 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -45.73 93.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 64.7 28.75 73.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.97 169.71 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.61 169.07 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.91 -168.94 22.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.6 m95 -106.12 166.14 10.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 44.9 p90 -172.11 161.71 4.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.06 123.66 8.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 p -81.58 -22.63 37.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.06 -36.41 77.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.8 m-85 -68.72 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 15' ' ' ALA . 4.0 m -63.32 153.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' LYS . 10.2 ttt180 -96.4 157.16 16.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -100.44 137.71 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 32.1 mm -103.49 -41.14 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 109.56 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -12.87 57.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -92.9 -9.35 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.28 -35.64 16.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -68.04 -41.95 81.31 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.5 p -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.5 99.78 0.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 72.43 4.61 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 79.61 84.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -127.16 151.48 48.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -108.33 138.75 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -137.57 -58.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.43 -129.54 1.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -166.27 151.14 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 0.713 . . . . 0.0 110.082 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -133.88 129.77 36.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.89 -133.59 2.36 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m 60.89 157.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -109.28 -180.0 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -140.95 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -105.62 120.29 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -90.36 108.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.5 m -130.95 142.5 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.2 tppt? -104.96 142.43 34.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -60.79 178.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -114.81 -52.33 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 17.3 p90 -147.89 178.99 8.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 57.0 m-20 -54.61 109.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HB3' HG23 ' A' ' 29' ' ' VAL . 87.6 t80 -115.17 129.58 56.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -102.44 139.75 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 11.5 pt20 -85.24 144.15 28.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -70.75 -19.5 62.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 34.5 m-20 -174.0 159.83 3.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.2 -20.16 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -65.93 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -81.4 175.86 10.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 110.246 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.09 163.02 15.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -141.49 133.22 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.968 HG12 HD22 ' A' ' 50' ' ' LEU . 14.4 m -140.17 150.26 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.05 -77.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 148.81 27.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.63 65.0 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 10.8 m-20 -137.25 87.61 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.41 126.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.565 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mp -113.75 146.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.7 m-85 -106.2 111.04 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG22 ' A' ' 40' ' ' VAL . 10.7 t -82.96 120.76 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.15 -43.98 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -71.57 -73.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.1 t 77.41 78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.6 mm-40 -103.84 150.04 24.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.49 -0.27 38.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.82 95.8 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.15 -32.17 0.36 Allowed Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 59.9 m95 -100.6 157.99 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.806 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.96 125.38 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.063 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.6 tt0 -97.52 122.76 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.91 -157.1 7.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.76 133.68 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.968 HD22 HG12 ' A' ' 29' ' ' VAL . 63.1 tp -111.89 167.29 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.495 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.6 m-80 -46.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 68.37 27.9 73.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -136.11 166.3 23.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.3 t -160.56 170.92 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.578 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.53 -173.63 18.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 32.7 m95 -98.73 156.59 16.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 40.4 p90 -162.64 161.28 19.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.69 8.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.0 t -84.88 -16.59 40.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -71.57 -41.38 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -64.1 -61.78 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 15' ' ' ALA . 3.3 m -62.75 -177.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -132.82 144.23 50.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.731 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.4 tt0 -89.67 146.94 24.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.527 ' CD1' HD11 ' A' ' 34' ' ' ILE . 11.9 mt -105.34 -58.45 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -46.67 134.17 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -26.98 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -75.86 -9.47 58.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -96.04 -12.93 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -100.06 -42.93 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 m -74.8 -2.32 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.9 122.16 2.68 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.42 4.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.0 p -132.83 129.73 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 t -94.91 -57.12 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.46 112.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -175.25 148.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.036 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.06 -83.47 0.76 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 t -144.21 -68.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 32.53 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.44 142.03 6.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.531 1.144 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -145.89 157.22 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.575 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -178.25 129.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.589 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -109.31 118.72 37.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -90.05 103.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 11' ' ' LEU . 23.8 m -125.11 135.47 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -93.55 136.95 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.871 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -57.24 162.84 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -102.08 -46.99 4.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 26.5 p90 -147.98 -171.56 3.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 5.5 t-20 -73.78 105.41 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' HB3' HG12 ' A' ' 29' ' ' VAL . 30.8 t80 -96.91 138.37 34.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 117.61 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.7 pt20 -67.47 141.33 56.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.87 -12.22 59.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.8 m120 -168.38 169.51 10.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -5.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.37 -37.86 25.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -178.2 5.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -98.28 162.6 13.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.7 t -138.11 139.95 39.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.871 HG21 ' HB2' ' A' ' 15' ' ' ALA . 8.0 p -146.47 156.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.3 t -113.73 -86.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 143.65 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.27 63.94 4.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.498 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -141.47 89.94 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -52.81 126.99 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.504 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.02 150.23 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 34.6 m-85 -107.79 111.07 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 40' ' ' VAL . 10.8 t -84.4 120.33 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.37 -44.55 4.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.7 ttm180 -69.45 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.817 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.6 t 75.74 75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -100.15 149.23 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.81 0.46 41.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.01 -44.65 97.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.51 -31.94 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -100.95 156.83 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.817 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.13 131.11 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 7.3 tt0 -103.27 121.47 42.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.37 -158.65 7.62 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.01 132.32 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.423 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.2 tp -111.13 167.38 10.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.485 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.4 m-80 -45.99 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.86 29.64 74.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -135.78 166.97 22.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 0.793 . . . . 0.0 110.36 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.488 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.7 t -160.16 170.59 20.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.51 -158.7 21.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 26.2 m95 -112.84 152.59 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 4.7 p90 -158.15 161.74 28.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.716 ' HA ' HG22 ' A' ' 62' ' ' VAL . 5.7 t -92.14 -53.69 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' SER . 7.8 m-20 -39.8 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 37.4 m-85 -73.19 -59.65 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.1 m -65.13 150.2 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.04 159.17 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' CD ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -110.26 139.04 45.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 31.7 mm -99.43 -47.18 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 122.35 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.6 m -94.24 -11.43 30.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 -9.34 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -96.59 -41.18 8.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.427 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -52.29 -57.93 8.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.49 13.99 9.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.32 -97.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.59 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t 48.81 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.6 t -39.49 111.34 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 0.0 110.062 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 110.914 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.56 99.0 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 0.812 . . . . 0.0 110.062 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 61.32 84.28 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.81 -130.27 17.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -90.85 -60.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -138.03 -61.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.7 147.3 4.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 71.9 m -63.9 148.0 50.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.022 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 8' ' ' SER . 41.6 m80 -156.3 -45.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.77 121.27 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -111.65 121.55 45.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -91.74 110.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 64' ' ' GLU . 6.3 m -130.72 142.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.7 tppt? -102.75 141.02 36.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -176.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.381 1.05 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.07 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 13.3 p90 -146.12 177.08 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 23.1 m-80 -58.77 101.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -103.32 146.5 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.67 133.16 56.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -78.91 146.71 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 26' ' ' GLU . 8.8 t -80.81 -23.45 39.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -157.83 175.67 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -10.9 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.59 10.84 37.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' OE1' HG22 ' A' ' 22' ' ' THR . 13.4 tt0 -115.94 150.36 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.51 117.96 19.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.11 111.42 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -118.28 150.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -112.16 -79.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 138.23 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.73 63.11 5.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -140.52 91.83 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.09 134.67 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.717 HD11 HG11 ' A' ' 29' ' ' VAL . 1.4 mt -120.01 148.27 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.9 m-85 -105.06 110.74 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.744 HG12 HG22 ' A' ' 40' ' ' VAL . 13.1 t -82.59 117.97 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.14 -44.5 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.9 tpm_? -68.5 -69.81 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.744 HG22 HG12 ' A' ' 37' ' ' VAL . 34.2 t 72.33 75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.14 119.41 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.61 0.04 21.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.41 -47.2 92.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.38 -37.15 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -100.35 163.18 12.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -135.81 125.48 25.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.5 tt0 -99.13 121.81 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.57 -159.27 8.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.25 128.17 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.383 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.2 tp -108.99 167.89 9.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.486 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -45.25 91.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.09 28.95 74.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 5.1 mtt85 -135.98 159.05 42.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.458 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 56.5 m -157.62 148.77 21.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 160.15 -171.18 36.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.405 1.066 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 30.3 m95 -109.55 130.56 55.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' ILE . 47.6 p90 -139.8 160.32 61.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.81 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 47.8 t -81.72 -21.98 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.61 -39.29 91.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.19 -62.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.9 m -61.01 -177.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -129.94 134.98 47.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 34' ' ' ILE . 5.5 mt -105.48 -58.82 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -44.4 112.57 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -80.93 -15.8 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -85.32 -9.37 57.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -98.7 -19.24 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -43.52 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -99.34 13.77 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.0 63.8 0.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.54 5.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.95 150.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 t -171.3 150.7 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -152.52 -60.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -176.86 155.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.96 -135.74 13.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 56.53 108.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 -55.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 153.88 17.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 61.63 161.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.053 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.71 141.01 21.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -39.6 134.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -123.83 121.14 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.7 mp -91.58 111.6 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 62' ' ' VAL . 5.3 m -132.17 131.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.695 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -86.76 132.98 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -54.58 151.13 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HD2' ' CA ' ' A' ' 61' ' ' TYR . 2.2 ttt85 -81.7 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' CYS . 38.9 p90 -148.53 -169.57 3.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.99 121.19 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 29' ' ' VAL . 73.8 t80 -132.07 104.68 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -77.54 136.69 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 10.6 pt20 -83.97 148.0 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 p -84.71 -23.02 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 20.7 m-80 -156.03 173.43 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -71.6 -20.42 61.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.81 7.5 20.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -110.82 149.52 30.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -77.3 117.0 18.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.448 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 1.2 p -97.56 112.24 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.779 HG12 HD22 ' A' ' 50' ' ' LEU . 24.4 m -125.06 137.42 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -102.71 -72.09 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.57 149.19 13.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.49 59.59 5.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.458 ' OD2' HD21 ' A' ' 50' ' ' LEU . 1.3 m-20 -138.68 88.85 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.695 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -57.29 130.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.515 HD11 HG11 ' A' ' 29' ' ' VAL . 1.6 mp -115.29 140.2 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.511 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 35.5 m-85 -93.89 110.82 22.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.766 HG12 HG22 ' A' ' 40' ' ' VAL . 14.7 t -81.81 118.59 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.91 -43.49 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 3.5 ttt180 -70.95 -72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.766 HG22 HG12 ' A' ' 37' ' ' VAL . 20.9 t 76.49 78.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 mm-40 -103.74 149.9 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.61 -1.8 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.54 -46.08 94.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.47 -32.17 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -100.6 160.26 14.5 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.83 127.93 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.038 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 4.5 tt0 -99.61 119.33 37.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.18 -159.7 8.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.42 131.85 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.417 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -110.75 166.79 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' H ' HD12 ' A' ' 50' ' ' LEU . 45.9 m-80 -42.7 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 60.29 38.47 94.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -135.7 171.0 15.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.697 ' C ' HD22 ' A' ' 27' ' ' LEU . 9.1 t -158.86 163.55 36.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.59 -171.25 20.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.549 1.156 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 20.8 m95 -107.74 173.36 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -175.89 159.28 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.04 127.5 10.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.3 p -89.45 -28.0 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -42.4 -33.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -95.94 -57.99 2.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.456 1.098 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -43.36 117.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.8 tpt180 -82.39 143.55 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.6 tt0 -90.31 152.61 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.92 -55.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -48.42 129.59 15.99 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -13.49 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -9.31 31.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.98 -35.79 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -27.26 67.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.49 13.64 20.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.4 -89.06 0.28 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.489 1.118 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.11 33.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.05 165.28 24.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.569 1.168 . . . . 0.0 109.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -159.06 -57.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 110.961 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -96.01 -58.17 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 -58.62 1.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.43 -91.26 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.08 157.91 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.99 -58.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.33 -80.96 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -55.99 152.05 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.429 ' NE2' HG21 ' A' ' 40' ' ' VAL . 7.2 p-80 -113.83 173.73 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 3.2 tt0 -123.14 118.28 27.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.638 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.02 121.7 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.223 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp -91.52 106.56 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.9 m -128.7 142.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.3 tppt? -98.36 141.25 31.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -68.86 155.59 39.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -82.21 -60.75 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' CYS . 44.9 p90 -148.66 -169.35 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -59.44 109.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HB3' HG12 ' A' ' 29' ' ' VAL . 50.7 t80 -106.82 134.4 50.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -104.72 127.87 52.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.9 pt20 -79.49 143.22 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -71.93 -15.56 62.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.7 m120 -175.55 160.48 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.4 -16.76 10.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.95 -37.22 72.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -82.03 179.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -94.25 162.72 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -141.85 126.54 18.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' ' 15' ' ' ALA . 9.8 p -129.06 156.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -111.03 -75.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 153.32 14.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.47 63.75 1.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.61 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -139.34 90.08 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -52.45 125.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.485 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.01 143.76 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.541 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.9 m-85 -99.63 110.57 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.682 HG12 HG22 ' A' ' 40' ' ' VAL . 9.9 t -83.05 118.11 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -107.21 -45.0 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.1 tpm_? -67.54 -69.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 37' ' ' VAL . 40.4 t 71.33 76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.61 117.96 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.15 -3.62 27.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.95 -47.24 88.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.22 -34.97 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 61.9 m95 -100.45 157.13 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.651 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.82 120.31 21.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 2.2 tt0 -95.21 125.1 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.5 -158.8 7.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -137.88 127.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.99 167.15 10.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.461 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.0 m-80 -46.18 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.81 28.42 73.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -134.68 166.06 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 27' ' ' LEU . 9.2 m -158.27 170.88 21.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.631 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 130.85 -159.11 22.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.602 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 21.3 m95 -118.45 141.85 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.599 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 3.1 p90 -144.37 161.45 44.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.03 112.6 3.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 62' ' ' VAL . 65.8 p -75.56 -37.05 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -38.31 54.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -72.9 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 59' ' ' SER . 5.1 m -63.31 149.36 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 62.5 ttt180 -94.47 146.79 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -95.59 149.03 21.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mm -106.49 -64.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -42.03 115.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.5 p -87.02 -8.72 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.4 p -94.0 -9.32 37.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.81 -35.59 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -34.02 74.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 m -111.37 13.96 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.3 -96.22 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 136.04 19.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.09 132.46 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 127.06 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.0 110.975 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -118.91 -58.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -113.05 136.88 52.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.17 136.07 8.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -177.2 83.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.729 . . . . 0.0 110.049 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -120.18 119.9 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.32 -103.33 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.3 -53.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 0.795 . . . . 0.0 109.978 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -167.52 173.21 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -69.72 147.42 50.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.25 118.14 35.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' ILE . 2.7 mp -89.93 111.22 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 64' ' ' GLU . 28.8 m -136.19 130.11 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.654 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.2 tppt? -81.9 140.73 33.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -59.73 -178.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -123.23 -48.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 24.0 p90 -147.67 -170.67 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.539 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 10.9 m-20 -77.11 106.47 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' HB3' HG12 ' A' ' 29' ' ' VAL . 26.3 t80 -94.05 148.53 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -122.02 115.46 22.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 9.6 pt20 -68.48 143.96 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.91 -14.17 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.436 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 37.8 m-20 -172.01 172.66 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -72.47 -8.49 55.37 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -30.15 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 1.9 tt0 -86.98 -170.44 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 54' ' ' THR . 0.6 OUTLIER -109.57 160.61 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' HD23 ' A' ' 27' ' ' LEU . 48.4 t -136.58 144.46 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 15' ' ' ALA . 11.9 p -147.01 149.72 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -78.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.257 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 152.66 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.04 59.07 3.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.564 ' HB3' HD11 ' A' ' 50' ' ' LEU . 3.2 m-20 -136.79 86.85 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.73 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.14 133.11 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.68 140.98 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.535 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.7 m-85 -95.65 110.27 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.816 HG12 HG22 ' A' ' 40' ' ' VAL . 12.4 t -82.29 125.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -49.32 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 8.5 ttm180 -71.43 -68.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG12 ' A' ' 37' ' ' VAL . 14.8 t 76.0 74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 mt-10 -105.43 120.77 42.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.52 1.15 20.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.057 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.47 -49.89 58.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.52 -44.39 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.552 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 45.3 m95 -100.44 173.77 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.791 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -139.57 133.17 30.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.967 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.0 tt0 -102.58 110.9 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.0 -158.29 8.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -141.93 136.24 30.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 110.424 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 33' ' ' ASP . 59.7 tp -112.9 168.33 9.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' H ' HD12 ' A' ' 50' ' ' LEU . 46.5 m-80 -45.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.9 32.22 80.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 3.1 mtt85 -137.22 167.02 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.647 ' C ' HD12 ' A' ' 27' ' ' LEU . 14.6 t -159.85 168.57 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.618 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 126.25 -163.56 20.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 40.3 m95 -103.67 158.45 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' A' ' 62' ' ' VAL . 12.0 p90 -162.73 162.93 18.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.09 121.83 6.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 62' ' ' VAL . 13.4 p -90.54 -53.98 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -41.3 -38.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 44.5 m-85 -67.67 -59.15 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.8 m -67.86 149.9 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -91.3 154.58 19.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.845 ' HA ' HG12 ' A' ' 13' ' ' VAL . 23.5 tt0 -97.92 149.77 22.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -108.44 -55.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -49.91 121.64 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -88.9 -17.22 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.387 1.055 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -87.2 -9.24 55.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.99 -40.58 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -54.44 -47.2 73.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 13.12 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.48 65.62 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.07 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 t -178.86 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 p -139.53 167.91 21.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -168.85 161.15 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.49 114.69 3.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.424 1.077 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -63.86 148.4 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.58 80.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.54 -72.01 0.02 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -105.96 157.02 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -71.0 148.32 47.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.548 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -126.77 138.09 53.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -120.88 121.31 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.14 108.44 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 ' O ' HD13 ' A' ' 34' ' ' ILE . 26.9 m -127.61 149.23 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.0 tppt? -108.65 145.97 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.37 157.59 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -61.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.8 p90 -148.62 -170.03 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -55.58 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.705 ' HB3' HG23 ' A' ' 29' ' ' VAL . 19.1 t80 -109.23 114.12 27.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 146.01 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.14 141.88 29.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -70.73 -21.47 62.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -167.3 158.83 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -26.91 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -46.47 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.91 178.87 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -93.02 164.64 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.462 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -138.26 135.7 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -140.1 161.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' PHE . 38.3 t -115.99 -76.94 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -174.68 132.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 59.57 52.68 51.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.855 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -114.77 -31.67 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.68 122.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mp -117.7 149.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 109.205 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 40.9 m-85 -109.2 111.2 22.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 4.9 t -81.86 122.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.55 -46.72 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' CD ' ' CH2' ' A' ' 56' ' ' TRP . 35.1 ttm-85 -69.37 -70.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.873 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 24.3 t 71.99 77.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 39' ' ' ARG . 7.9 mm-40 -110.69 162.43 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.8 pt-20 -103.59 -16.05 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -36.31 -52.59 1.31 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.83 -33.93 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -105.54 161.39 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.873 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -127.8 128.4 45.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.037 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 15.4 tt0 -98.25 122.28 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.69 -159.04 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.07 136.39 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 33' ' ' ASP . 61.6 tp -116.82 167.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 50' ' ' LEU . 51.4 m-80 -44.44 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.01 31.69 81.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -134.25 168.54 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.95 170.33 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.97 -163.28 22.37 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 39' ' ' ARG . 18.9 m95 -112.37 170.99 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 51.4 p90 -175.48 161.12 2.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.94 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.511 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 87.9 p -73.62 -23.81 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.07 -35.64 81.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.4 m-85 -71.72 -62.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.07 145.26 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.13 162.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.44 138.15 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 27.4 mm -102.22 -49.0 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.98 121.85 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -91.65 -13.65 31.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.092 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -95.28 -9.32 33.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -98.45 -39.84 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.28 -51.1 69.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.89 12.25 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.63 78.47 0.19 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 55.96 4.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.42 122.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.6 t -146.11 141.79 27.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -157.11 126.64 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.727 . . . . 0.0 110.049 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -128.3 140.27 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.13 91.12 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.89 147.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 167.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.65 149.06 5.71 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.66 139.87 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 38' ' ' THR . 8.8 p-80 -60.05 165.1 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -173.63 138.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.3 121.8 44.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -93.78 112.64 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 64' ' ' GLU . 21.5 m -135.45 137.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.5 tppt? -94.25 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.46 146.53 54.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -72.75 -67.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.3 p90 -147.62 -170.83 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.22 112.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 19.8 t80 -126.79 96.14 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.6 132.95 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -77.7 142.1 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -75.37 -12.12 60.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -157.52 150.92 23.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -8.58 31.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.77 -30.99 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 56' ' ' TRP . 3.1 tt0 -71.7 175.96 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -83.86 125.98 32.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.9 108.3 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -118.49 148.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' PHE . 3.0 t -111.48 -68.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 108.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 144.7 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.89 64.16 3.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 42.6 m-20 -143.68 94.66 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.91 139.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.741 HD11 HG11 ' A' ' 29' ' ' VAL . 2.5 mt -125.61 149.42 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 33.8 m-85 -107.79 110.71 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.771 HG12 HG22 ' A' ' 40' ' ' VAL . 15.4 t -80.2 120.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -106.55 -44.68 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 5.2 ttm180 -70.96 -73.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.771 HG22 HG12 ' A' ' 37' ' ' VAL . 17.2 t 77.9 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 1.5 mm-40 -100.26 148.54 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.26 -1.56 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 -45.17 97.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.98 -31.11 0.4 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -100.96 157.8 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.21 132.89 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.7 tt0 -106.83 115.85 30.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.07 -153.72 7.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -143.46 132.46 22.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 33' ' ' ASP . 60.8 tp -109.94 166.82 10.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.521 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -45.07 92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 65.57 33.88 87.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.93 169.06 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.681 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -159.55 165.33 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 133.84 -160.05 23.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.51 175.19 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 16.8 p90 178.99 160.43 0.7 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.6 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.588 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 86.2 p -72.85 -32.29 65.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -35.96 77.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.9 m-85 -70.56 -59.5 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 58' ' ' PRO . 2.3 m -53.08 -179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -118.71 145.36 45.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -92.47 138.52 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.598 HG13 HD11 ' A' ' 34' ' ' ILE . 24.2 mm -105.14 -34.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -86.54 119.44 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -82.63 -25.69 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -11.23 60.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 23.7 mm-40 -99.85 -50.13 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -57.88 -36.31 72.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -108.17 13.71 25.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.25 -102.55 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -148.53 99.09 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -118.99 134.05 55.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -106.12 -58.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.38 -58.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.55 -146.2 8.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -145.9 -59.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.988 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 78.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.14 94.21 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.8 p -143.52 -55.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.6 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 66.85 136.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -122.37 124.65 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -94.84 111.92 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.624 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.6 m -130.44 133.57 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -90.19 130.42 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -50.33 159.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -89.62 -63.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.75 -175.49 5.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -53.5 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 58.7 t80 -105.46 144.3 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -112.77 133.09 54.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -77.91 144.0 37.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.1 p -76.39 -20.98 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.0 167.32 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.34 -6.11 48.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.11 -30.25 14.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -70.33 168.58 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.4 146.83 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 112.0 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.047 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -121.01 149.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.34 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.44 132.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.87 51.11 54.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.646 ' HB3' HD11 ' A' ' 50' ' ' LEU . 12.6 m-20 -133.03 88.27 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.717 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -55.91 135.47 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.047 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.26 138.1 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.521 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.6 m-85 -90.96 111.01 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 40' ' ' VAL . 5.0 t -82.06 120.71 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 -44.1 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 3.5 tpt180 -72.82 -73.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.782 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.0 t 77.32 77.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -102.54 151.25 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.21 -2.5 33.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.63 95.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.3 -30.97 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 52.1 m95 -101.38 154.86 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.782 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -130.68 129.25 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.6 tt0 -100.45 113.12 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.39 -152.82 7.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -148.95 134.08 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.462 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 33' ' ' ASP . 62.1 tp -112.36 168.59 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -46.74 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 70.93 28.02 71.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.536 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.56 157.45 46.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.495 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 96.9 m -158.11 145.44 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.81 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.23 -158.14 28.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.7 m95 -108.62 168.56 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -174.18 161.03 2.89 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -74.98 125.05 9.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' ASN . 87.4 p -91.61 -31.37 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' SER . 63.0 m-20 -39.62 -35.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -96.28 -56.22 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -44.05 117.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.82 140.68 32.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.236 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.2 tt0 -89.19 147.13 24.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mm -106.32 -56.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -49.76 119.95 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -89.33 -17.19 29.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -9.26 56.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -95.62 -23.66 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -35.99 82.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -105.73 13.35 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.31 -98.06 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.07 5.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.7 p -44.04 109.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.944 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -62.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -164.78 128.7 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 p -80.43 156.85 26.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -179.87 38.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -160.73 168.25 25.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.65 167.76 25.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.96 -159.42 27.96 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -155.25 122.74 5.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 0.739 . . . . 0.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 66.24 125.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.41 148.95 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.34 117.62 32.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 65' ' ' ILE . 1.8 mp -84.01 107.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 64' ' ' GLU . 34.4 m -126.89 144.5 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.1 tppt? -107.69 141.61 38.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.64 170.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -109.0 -58.37 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.1 p90 -146.07 167.46 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -49.5 93.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.2 t80 -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 111.082 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.83 129.1 55.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.26 142.09 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -74.99 -19.71 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -151.75 164.44 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.84 -9.51 58.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.27 -14.22 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -87.17 166.37 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -77.81 124.42 27.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.71 104.06 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -107.63 168.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -130.71 -64.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -175.37 140.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 44.44 60.37 3.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.535 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.25 -36.18 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.625 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.22 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -118.02 136.6 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' THR . 47.3 m-85 -98.33 111.29 23.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 HG22 ' A' ' 40' ' ' VAL . 9.1 t -77.73 122.44 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.39 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.8 ttm180 -73.37 -73.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 16.3 t 79.52 77.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.8 mm-40 -103.76 151.07 23.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -4.4 29.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.06 -47.94 64.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.53 -33.86 0.29 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.548 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 58.5 m95 -100.88 164.22 11.93 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.768 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.01 133.28 37.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 10.7 tt0 -105.68 115.97 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.57 -152.24 7.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.27 134.03 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.438 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 27' ' ' LEU . 60.2 tp -112.98 167.83 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.483 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.6 m-80 -45.94 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.64 31.14 75.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HD2' HD23 ' A' ' 50' ' ' LEU . 1.3 mtt85 -138.28 159.48 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.505 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 92.4 m -157.65 146.93 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.866 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.57 -162.29 31.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 38.0 m95 -107.96 163.37 13.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -170.78 161.85 5.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.91 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.9 p -79.1 -15.71 57.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.01 -35.41 66.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.9 m-85 -70.43 -63.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.14 -177.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -129.83 151.28 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.659 ' HA ' HG12 ' A' ' 13' ' ' VAL . 26.5 tt0 -93.42 154.2 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' HG22 ' A' ' 12' ' ' ILE . 11.9 mm -110.38 -61.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 131.26 8.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -93.66 -12.65 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -9.32 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -88.08 -39.04 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -65.07 -29.26 70.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -82.29 4.58 23.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 138.32 9.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 85.84 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.552 1.817 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -154.27 133.23 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.84 -57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.93 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.78 -59.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 73.28 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.75 155.21 6.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -151.82 98.12 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.62 0.835 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -89.15 110.43 21.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 123.25 0.22 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.93 -65.11 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.6 m170 64.26 133.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.67 117.07 9.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -113.04 122.02 46.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -90.49 111.39 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' ' 64' ' ' GLU . 32.1 m -135.89 139.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CE ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -99.35 141.42 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 177.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -112.05 -53.64 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -147.52 175.03 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 m120 -57.39 95.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.31 154.81 17.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.84 132.31 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -80.99 140.78 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 -17.37 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -164.36 153.73 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.88 -16.3 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -33.92 51.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -76.99 171.15 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.7 138.15 38.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -119.81 91.19 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 35' ' ' ILE . 23.1 m -105.68 144.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 55.8 m -111.63 -79.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 136.65 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.4 62.3 6.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.785 ' HB3' HD11 ' A' ' 50' ' ' LEU . 22.6 m-20 -138.91 90.58 2.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.612 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.37 129.67 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 29' ' ' VAL . 1.8 mt -118.74 140.18 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 m-85 -99.14 111.42 23.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 40' ' ' VAL . 12.3 t -80.78 121.3 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -43.4 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.397 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -73.22 -73.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.743 HG22 HG12 ' A' ' 37' ' ' VAL . 16.4 t 78.52 77.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 4.2 mm-40 -103.19 150.04 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.45 -3.33 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.11 94.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.5 -31.44 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 55.3 m95 -101.12 158.2 16.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.706 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.22 130.43 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 9.4 tt0 -103.41 117.36 34.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -136.59 -155.55 7.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.63 168.11 9.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.504 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -44.95 92.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 32.42 81.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.16 167.01 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 0.728 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.519 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 13.4 m -159.63 151.46 20.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.702 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 146.99 -171.67 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 35.2 m95 -99.51 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 30.4 p90 -169.05 161.72 7.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.512 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.9 112.34 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.556 ' HA ' HG22 ' A' ' 62' ' ' VAL . 10.3 p -81.46 -34.65 31.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -51.8 -41.43 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 26.6 m-85 -68.98 -61.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.3 m -57.26 160.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 152.95 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.729 ' HA ' HG12 ' A' ' 13' ' ' VAL . 31.3 tt0 -90.04 150.48 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 34' ' ' ILE . 13.3 mm -110.77 -37.9 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -90.46 102.94 15.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 p -71.5 -20.35 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -9.58 58.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -86.13 -52.56 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 71' ' ' SER . 2.3 ptt180 -56.25 -27.01 53.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -95.99 9.12 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.078 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.57 67.45 0.32 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -38.79 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -133.12 137.79 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 p -50.49 124.0 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -145.23 132.92 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.28 165.17 12.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.94 73.46 0.35 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -146.78 110.9 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -131.65 -59.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.33 -90.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.95 159.64 29.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.971 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 10' ' ' GLN . 6.8 t60 61.05 147.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -164.81 122.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.63 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.89 118.85 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -87.98 103.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' C ' HD13 ' A' ' 34' ' ' ILE . 33.4 m -123.1 139.44 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.3 tppt? -101.2 144.88 29.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 161.91 29.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -62.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -149.78 176.13 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.55 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . 79.9 t80 -102.62 142.42 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -111.63 139.57 46.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' CG ' ' OG ' ' A' ' 28' ' ' SER . 7.2 pt20 -88.52 144.94 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.7 p -73.24 -18.82 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 10.2 m120 -153.94 155.2 35.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 53' ' ' ARG . 1.1 pm0 -67.29 -9.88 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.34 -33.3 22.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -71.44 -177.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.08 129.11 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -115.16 104.6 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.945 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.15 149.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.6 m -108.88 -86.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 129.46 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.19 60.58 6.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.632 ' HB3' HD11 ' A' ' 50' ' ' LEU . 44.5 m-20 -137.45 89.96 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -56.26 131.63 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.945 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -119.24 138.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 36.0 m-85 -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HG22 ' A' ' 40' ' ' VAL . 13.8 t -81.61 122.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -44.57 4.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -71.95 -73.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.857 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 15.7 t 77.56 77.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.9 mm-40 -103.57 150.16 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.4 1.04 40.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.32 -45.54 95.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.595 1.184 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.6 -32.52 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.3 m95 -100.91 156.51 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.857 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.89 127.5 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 108.04 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.5 tt0 -98.5 118.09 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -135.43 -160.02 8.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.71 127.17 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.385 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 33' ' ' ASP . 66.4 tp -110.78 168.15 9.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 1.087 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -45.11 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 59.69 39.46 95.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -152.29 119.26 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.513 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 18.9 m -116.72 154.05 31.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 153.08 -176.43 31.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 38.2 m95 -96.8 168.77 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -178.54 160.84 1.13 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 124.65 8.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 62' ' ' VAL . 12.9 p -88.21 -38.77 15.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -50.14 -32.97 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.213 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 18.0 m-85 -77.64 -54.16 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.7 m -67.82 149.16 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -85.34 158.73 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -109.91 137.87 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 38.7 mm -100.26 -58.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.31 121.89 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -92.3 -12.6 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -9.25 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.49 -36.92 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -46.56 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.67 12.16 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.22 -117.02 1.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t 60.26 114.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.6 103.04 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.9 79.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.52 82.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 109.968 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.86 69.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p 39.79 84.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -75.56 165.78 24.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.9 -87.23 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 p -147.64 113.77 5.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -124.64 -42.51 2.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -79.37 137.98 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.28 122.71 46.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.421 1.075 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.54 HG23 HD12 ' A' ' 34' ' ' ILE . 2.5 mp -89.09 110.03 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 64' ' ' GLU . 35.9 m -133.44 135.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -94.72 140.77 29.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -65.95 162.47 19.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 1.3 ttm180 -90.03 -59.07 2.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' CYS . 37.0 p90 -148.71 -169.45 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -56.31 119.44 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' A' ' 29' ' ' VAL . 21.6 t80 -125.6 121.11 32.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 139.7 32.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -84.85 148.06 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -77.87 -20.58 52.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -165.38 172.59 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -13.49 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -27.07 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 2.9 tt0 -92.31 163.8 13.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -82.1 167.01 19.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.51 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 t -144.46 134.33 23.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 50' ' ' LEU . 6.9 m -141.71 146.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -104.16 -77.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.73 147.09 21.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.65 62.68 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -137.22 88.64 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -53.46 129.94 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -115.32 150.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 28.2 m-85 -108.69 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 40' ' ' VAL . 14.2 t -82.34 120.42 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.23 -44.73 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 4.1 ttm180 -70.07 -74.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 37' ' ' VAL . 18.9 t 78.22 77.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.7 mm-40 -103.97 149.89 24.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.4 -0.65 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.59 93.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.39 -31.92 0.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.607 0.828 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.539 ' CZ3' ' CD ' ' A' ' 26' ' ' GLU . 67.4 m95 -100.97 161.84 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.708 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -136.12 123.39 21.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 8.2 tt0 -96.0 122.17 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.32 -156.1 6.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.83 133.68 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 29' ' ' VAL . 63.0 tp -111.4 167.6 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.488 ' H ' HD12 ' A' ' 50' ' ' LEU . 57.2 m-80 -46.03 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.4 30.31 76.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -135.95 168.53 19.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.91 170.52 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.93 -172.93 19.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.0 m95 -101.51 156.47 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 38.3 p90 -163.18 161.78 18.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 127.67 10.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 88.4 p -85.65 -35.01 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -60.56 -39.1 86.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 9.1 m-85 -63.93 -58.65 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 15' ' ' ALA . 11.9 m -67.32 161.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HG3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -98.76 155.37 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -100.26 138.28 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 44.5 mm -102.61 -36.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -82.42 108.71 16.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.8 p -76.64 -21.64 55.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.02 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.8 t -73.92 -9.71 58.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.2 mm-40 -99.62 -53.92 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 71' ' ' SER . 29.4 ptt85 -56.35 -39.8 73.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 70' ' ' ARG . 5.0 t -70.56 -6.03 33.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.63 126.32 2.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' SER . 18.3 Cg_endo -74.97 148.81 35.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t 70.28 -60.29 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -47.86 -55.72 9.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.49 118.02 27.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.34 89.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.92 -150.32 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.21 150.11 26.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.15 135.75 53.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.08 74.23 0.81 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.9 p -176.62 152.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -113.87 135.19 54.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -82.48 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.95 121.92 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG23 HD12 ' A' ' 34' ' ' ILE . 2.3 mp -91.54 104.4 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' ILE . 22.5 m -123.72 141.77 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 7.7 tppt? -97.64 149.86 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -70.31 150.03 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -45.55 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 14.3 p90 -148.61 179.25 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.09 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 39.4 m-20 -69.1 107.74 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' HB3' HG12 ' A' ' 29' ' ' VAL . 51.5 t80 -96.64 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.92 124.22 48.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.81 147.71 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.061 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -90.53 -21.95 21.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -153.46 174.97 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -22.44 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -83.3 2.23 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.41 147.23 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.07 117.07 18.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.31 102.78 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.845 HG21 HD11 ' A' ' 35' ' ' ILE . 5.4 p -108.11 155.15 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 m -120.09 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.25 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -144.91 143.78 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.74 64.22 3.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.585 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -141.59 93.53 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -55.83 128.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 29' ' ' VAL . 2.1 mt -116.59 139.58 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.527 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 45.2 m-85 -95.68 111.4 23.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.2 t -83.59 119.87 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -44.54 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.2 tpm_? -69.02 -71.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.82 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 35.3 t 72.83 79.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.17 151.06 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -100.35 -4.14 29.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.51 -45.16 96.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.09 -30.5 0.43 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -100.76 154.36 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.82 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -130.69 131.11 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 107.974 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 3.8 tt0 -104.66 123.71 48.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.8 -151.93 5.84 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.56 1.162 . . . . 0.0 111.053 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.41 129.25 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 27' ' ' LEU . 64.6 tp -109.92 167.78 9.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -46.39 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.45 30.11 71.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.615 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -139.45 158.59 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.712 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 48.4 m -159.25 151.34 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 151.97 -146.54 15.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 15.7 m95 -125.15 158.05 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -161.11 162.47 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.2 Cg_endo -75.08 116.7 4.65 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.566 1.824 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' TYR . 1.6 t -86.19 -36.71 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -39.98 -29.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' SER . 28.8 m-85 -96.84 -53.01 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -45.11 148.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.327 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.69 145.04 28.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -100.9 137.5 39.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 24.3 mm -103.46 -59.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.67 127.34 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -94.14 -17.18 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 m -96.18 -9.38 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.1 pp20? -46.09 -35.82 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.03 74.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . 83.4 p -101.53 13.39 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.06 -102.79 0.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p -152.07 128.36 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.067 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.67 99.12 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.82 96.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -156.65 132.4 9.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.89 -86.84 0.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.73 168.31 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 0.809 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -144.65 -59.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.7 -173.56 21.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -136.28 121.6 19.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 0.751 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.88 21.94 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -56.89 116.18 3.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -106.04 120.89 42.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.17 109.45 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.579 ' C ' HD13 ' A' ' 34' ' ' ILE . 21.3 m -132.85 141.47 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.4 tppt? -97.96 139.52 33.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -55.58 164.35 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -97.25 -60.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.21 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 15.3 p90 -148.63 -175.55 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -56.94 105.48 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -115.24 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 141.79 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.78 143.73 30.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 p -75.88 -16.74 60.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -171.99 162.72 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.62 -12.78 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -36.54 60.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -86.58 174.44 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -88.81 171.41 9.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.775 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.85 129.38 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.963 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.987 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -136.52 158.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.2 m -115.78 -83.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.244 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 138.29 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.65 62.85 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.628 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -143.34 92.82 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.67 HD11 HG13 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -56.48 132.54 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -121.23 140.08 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 38.3 m-85 -97.24 110.85 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 40' ' ' VAL . 10.5 t -83.18 118.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.05 -45.19 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.5 tpm_? -66.8 -69.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.192 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 37' ' ' VAL . 42.4 t 70.93 77.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.85 126.79 52.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.58 1.36 30.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.56 94.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.06 -35.37 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.605 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.5 m95 -100.58 157.84 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.21 128.78 38.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.7 tt0 -103.04 121.73 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.09 -161.5 8.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -136.66 125.85 24.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.987 HD22 HG12 ' A' ' 29' ' ' VAL . 62.1 tp -103.41 167.67 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.2 m-80 -46.68 91.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.37 26.73 74.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.06 166.48 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 t -159.88 170.31 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.579 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.52 -162.97 23.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 29.5 m95 -112.55 148.6 34.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 48.2 p90 -153.58 159.4 32.15 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.99 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -92.14 -26.33 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -47.46 -32.86 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -95.89 -54.67 3.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.88 139.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -89.35 142.73 27.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.24 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -94.04 139.31 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.67 HG13 HD11 ' A' ' 34' ' ' ILE . 46.9 mm -106.71 -47.87 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 5.5 ttpt -77.99 102.06 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -21.6 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -10.88 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' CB ' HD21 ' A' ' 11' ' ' LEU . 4.6 mm-40 -99.63 -20.12 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -45.46 5.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.99 5.16 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.68 -88.62 2.07 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 142.45 27.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.555 1.818 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m 56.24 166.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m 73.6 114.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.59 150.56 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -169.93 146.18 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.48 91.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -152.34 81.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -170.66 160.74 7.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.986 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.61 123.48 30.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.8 p -174.51 159.71 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 110.073 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.6 m80 65.41 31.64 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 109.639 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -154.17 111.6 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.247 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.05 122.54 47.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.756 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -85.86 114.81 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 64' ' ' GLU . 27.1 m -136.35 140.49 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' CD ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -94.84 154.58 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.82 151.33 24.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -63.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.1 p90 -148.29 -169.62 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -54.52 106.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' HB3' HG23 ' A' ' 29' ' ' VAL . 33.6 t80 -115.2 113.32 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -93.72 132.2 38.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -73.33 146.09 45.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -75.96 -15.54 60.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -169.4 161.33 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -20.6 65.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -45.6 87.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.192 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -179.85 6.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -95.94 158.63 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 13.1 t -133.35 137.56 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -139.96 169.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.3 m -126.89 -77.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.259 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -159.63 142.11 13.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.17 56.22 2.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -102.95 -27.84 12.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.756 HD12 HG23 ' A' ' 12' ' ' ILE . 0.7 OUTLIER 67.81 113.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.668 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -115.56 149.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.532 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 26.1 m-85 -108.6 110.24 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.8 t -82.36 120.42 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.6 -46.27 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 3.7 ttm180 -62.63 -75.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.644 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 47.9 t 69.19 83.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 39' ' ' ARG . 5.9 mm-40 -127.26 177.02 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 44' ' ' GLY . 6.2 pt-20 -103.64 -11.53 17.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -37.11 -30.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLU . . . 133.74 -36.5 2.11 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -100.61 174.93 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.644 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -137.78 123.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.2 tt0 -93.91 116.64 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -133.2 -161.95 9.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.72 136.88 29.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.42 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 33' ' ' ASP . 55.3 tp -116.69 168.22 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.508 ' H ' HD12 ' A' ' 50' ' ' LEU . 44.4 m-80 -43.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.31 36.2 93.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 3.6 mtt-85 -138.04 167.95 20.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.628 ' C ' HD12 ' A' ' 27' ' ' LEU . 4.9 t -160.11 171.12 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 125.79 -173.62 17.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 110.961 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 33.1 m95 -101.0 173.81 6.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 55.7 p90 -179.09 160.9 1.0 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.9 t -79.87 -17.56 52.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.15 -30.88 67.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 6.0 m-85 -79.7 -53.08 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -69.51 139.18 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.1 ttt180 -82.57 156.28 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.0 tt0 -103.09 147.65 26.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' HB ' HG22 ' A' ' 12' ' ' ILE . 49.1 mm -106.88 -49.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -59.52 119.93 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -12.53 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -91.56 -9.33 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -87.99 -41.63 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -42.73 97.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -97.78 12.78 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.56 64.71 0.34 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 58.51 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.5 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.55 110.75 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.582 1.176 . . . . 0.0 110.912 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.99 124.32 48.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.573 ' CG2' HD12 ' A' ' 34' ' ' ILE . 3.2 mp -92.74 112.6 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 64' ' ' GLU . 26.8 m -132.33 134.94 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.495 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.8 tppt? -92.95 144.29 25.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 168.01 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -103.97 -58.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.77 -175.01 4.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -59.45 103.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.3 t80 -114.98 113.85 24.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -89.54 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.15 138.36 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 p -74.27 -26.05 59.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -158.03 160.63 37.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.26 -24.59 67.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -37.33 84.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.54 ' OE1' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -86.47 177.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.69 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -92.25 170.88 9.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.69 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -148.24 122.59 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.021 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -129.55 154.1 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.31 -79.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.81 144.73 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.52 64.39 3.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -142.75 91.62 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.573 HD12 ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -56.62 129.02 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mt -114.13 148.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.1 m-85 -106.22 111.53 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.764 HG12 HG22 ' A' ' 40' ' ' VAL . 10.4 t -83.79 120.34 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.26 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.379 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.9 tpm_? -70.83 -72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.808 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.8 t 75.39 77.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.55 151.42 22.9 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.13 -4.35 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.16 91.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.0 -30.75 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' OE1' ' A' ' 26' ' ' GLU . 56.9 m95 -100.79 156.82 17.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.808 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.03 125.37 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.5 tt0 -97.31 121.72 39.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.97 -157.54 7.19 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.43 132.96 25.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.021 HD22 HG12 ' A' ' 29' ' ' VAL . 64.2 tp -109.98 167.63 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 50' ' ' LEU . 50.2 m-80 -47.2 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.25 26.51 74.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.69 166.68 22.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 55' ' ' GLY . 18.9 m -160.21 170.45 21.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.547 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.02 -173.11 18.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 31.1 m95 -98.8 157.68 16.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.448 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 53.2 p90 -165.05 161.03 14.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.577 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.5 p -75.7 -42.17 51.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -51.54 -36.85 46.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.5 m-85 -67.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 m -64.03 157.69 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.77 159.59 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -107.07 138.13 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 13.2 mm -101.95 -53.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 122.86 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.47 -13.19 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.948 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 -9.24 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.17 126.41 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -94.38 110.34 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 64' ' ' GLU . 16.2 m -130.42 146.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.4 tppt? -106.28 144.49 32.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.72 175.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -111.12 -53.19 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 8.6 p90 -147.75 172.51 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.05 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' A' ' 29' ' ' VAL . 31.6 t80 -108.38 118.34 36.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.41 138.23 32.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.615 1.197 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.84 145.14 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.637 HG22 ' OE1' ' A' ' 26' ' ' GLU . 9.8 t -79.81 -24.34 41.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -157.68 -177.03 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -18.21 52.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.93 10.46 21.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.637 ' OE1' HG22 ' A' ' 22' ' ' THR . 16.8 tt0 -115.53 152.56 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.23 121.33 23.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -102.82 105.84 16.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.1 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -117.78 143.29 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -77.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.31 138.35 12.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.97 62.94 5.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.68 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.7 m-20 -141.4 92.29 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -56.74 136.1 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.918 HD11 HG11 ' A' ' 29' ' ' VAL . 2.2 mt -121.22 144.39 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.7 m-85 -101.09 111.4 23.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.615 HG12 HG22 ' A' ' 40' ' ' VAL . 6.3 t -84.09 116.84 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.66 -44.71 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.2 tpm_? -65.45 -70.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 37' ' ' VAL . 48.0 t 68.97 78.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.5 mm-40 -108.28 152.02 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -100.88 -5.28 26.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.2 -48.53 53.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.1 -31.08 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -100.79 167.68 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -140.8 121.27 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.2 tt0 -94.68 137.78 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -152.37 -159.06 8.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.079 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.61 127.1 16.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.3 tp -107.28 167.2 10.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.504 ' H ' HD12 ' A' ' 50' ' ' LEU . 38.9 m-80 -46.02 91.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 31.09 77.27 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.66 165.88 25.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 27' ' ' LEU . 14.8 m -160.48 165.04 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' THR . . . 140.59 -177.3 20.89 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 26.9 m95 -105.79 130.98 53.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE2' HG21 ' A' ' 35' ' ' ILE . 41.9 p90 -136.86 160.58 65.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 124.84 8.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.597 1.841 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 91.0 p -81.94 -23.69 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -35.57 81.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.7 m-85 -72.59 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.93 168.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.3 ttp180 -118.12 148.06 42.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.588 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.3 tt0 -89.69 147.59 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.451 HG13 HD11 ' A' ' 34' ' ' ILE . 50.0 mm -107.24 -54.88 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -53.91 112.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.4 m -77.92 -20.54 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.5 -9.3 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' OE1' ' CA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.99 120.36 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -89.51 111.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 64' ' ' GLU . 24.5 m -135.8 129.13 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.4 tppt? -82.9 137.11 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -55.97 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -130.91 -49.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 22.2 p90 -146.71 -173.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.573 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 47.6 m-20 -72.89 110.67 7.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.631 ' HB3' HG12 ' A' ' 29' ' ' VAL . 37.4 t80 -97.45 148.3 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.34 117.96 27.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.64 139.12 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -10.79 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -175.75 163.35 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.07 -13.83 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.8 -37.95 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -78.84 -178.49 6.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -100.36 164.47 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 27' ' ' LEU . 29.0 t -139.18 140.81 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 15' ' ' ALA . 12.3 p -144.51 153.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 19.5 t -112.84 -79.19 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.42 150.84 23.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.59 57.98 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -134.94 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -52.57 130.58 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.497 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -114.69 136.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.1 m-85 -91.13 111.09 22.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 12.7 t -83.2 120.34 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.3 -44.82 4.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.454 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.4 ttm180 -69.34 -72.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.702 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.7 t 75.91 78.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.0 mm-40 -104.23 150.88 24.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -2.91 32.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.11 93.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.49 -31.29 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 56.4 m95 -100.7 158.63 15.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.702 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.14 125.84 30.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 108.072 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.8 tt0 -98.65 120.6 39.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.17 -156.59 6.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.47 132.46 29.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 0.755 . . . . 0.0 110.465 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 33' ' ' ASP . 64.2 tp -110.24 167.18 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 50' ' ' LEU . 48.3 m-80 -46.57 92.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.31 30.2 75.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -136.79 168.54 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' GLY . 21.7 m -159.86 170.88 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.605 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.57 -159.11 21.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.43 151.14 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 14.8 p90 -157.3 162.92 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.4 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.671 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 83.7 p -91.03 -12.52 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -76.75 -51.13 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.0 -44.33 82.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 59' ' ' SER . 4.1 m -76.77 169.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -113.54 145.38 41.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.735 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.1 tt0 -90.22 149.84 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 34' ' ' ILE . 18.1 mt -108.11 -62.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.48 122.43 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -85.09 -21.87 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -82.02 -9.28 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.084 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.549 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.57 123.43 46.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -89.87 110.42 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' GLU . 33.6 m -133.55 132.77 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.3 tppt? -94.19 143.96 25.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -59.76 -178.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -121.73 -53.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.6 p90 -147.52 167.12 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 10.9 m120 -47.19 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 1.203 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.6 t80 -111.46 110.09 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -84.42 139.11 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.6 pt20 -76.51 146.37 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -78.26 -12.88 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 29.2 m-20 -174.29 170.04 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -4.9 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -81.77 -41.14 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.595 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -78.57 179.78 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.05 167.68 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.1 t -135.58 122.3 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.807 HG12 HD22 ' A' ' 50' ' ' LEU . 14.2 m -135.2 156.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.41 -88.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 144.33 31.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 49.74 64.54 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.4 m-20 -142.28 91.53 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.2 132.49 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.78 135.19 60.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.4 m-85 -93.98 111.1 22.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 40' ' ' VAL . 13.0 t -81.49 119.33 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -44.68 4.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -68.97 -72.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 37' ' ' VAL . 21.5 t 75.61 78.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.3 mm-40 -104.12 151.05 23.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.31 -4.39 29.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.08 -46.33 91.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.36 -30.69 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 0.833 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.595 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 48.7 m95 -100.83 158.76 15.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.652 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.3 127.3 33.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 107.992 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.0 tt0 -100.35 120.48 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -139.42 -155.38 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.06 133.92 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.376 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -111.72 167.34 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -45.73 93.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 64.7 28.75 73.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.97 169.71 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.61 169.07 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.91 -168.94 22.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.6 m95 -106.12 166.14 10.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 44.9 p90 -172.11 161.71 4.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.06 123.66 8.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 p -81.58 -22.63 37.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.06 -36.41 77.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.8 m-85 -68.72 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 15' ' ' ALA . 4.0 m -63.32 153.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' LYS . 10.2 ttt180 -96.4 157.16 16.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -100.44 137.71 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 32.1 mm -103.49 -41.14 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 109.56 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -12.87 57.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -92.9 -9.35 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -105.62 120.29 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -90.36 108.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.5 m -130.95 142.5 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.2 tppt? -104.96 142.43 34.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -60.79 178.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -114.81 -52.33 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 17.3 p90 -147.89 178.99 8.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 57.0 m-20 -54.61 109.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HB3' HG23 ' A' ' 29' ' ' VAL . 87.6 t80 -115.17 129.58 56.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -102.44 139.75 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 11.5 pt20 -85.24 144.15 28.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -70.75 -19.5 62.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 34.5 m-20 -174.0 159.83 3.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.2 -20.16 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -65.93 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -81.4 175.86 10.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 110.246 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.09 163.02 15.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -141.49 133.22 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.968 HG12 HD22 ' A' ' 50' ' ' LEU . 14.4 m -140.17 150.26 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.05 -77.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 148.81 27.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.63 65.0 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 10.8 m-20 -137.25 87.61 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.566 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.41 126.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.565 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mp -113.75 146.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.7 m-85 -106.2 111.04 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG22 ' A' ' 40' ' ' VAL . 10.7 t -82.96 120.76 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.15 -43.98 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -71.57 -73.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.1 t 77.41 78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.6 mm-40 -103.84 150.04 24.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.49 -0.27 38.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.82 95.8 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.15 -32.17 0.36 Allowed Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 59.9 m95 -100.6 157.99 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.806 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.96 125.38 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.063 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.6 tt0 -97.52 122.76 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.91 -157.1 7.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.76 133.68 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.968 HD22 HG12 ' A' ' 29' ' ' VAL . 63.1 tp -111.89 167.29 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.495 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.6 m-80 -46.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 68.37 27.9 73.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -136.11 166.3 23.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.3 t -160.56 170.92 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.578 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.53 -173.63 18.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 32.7 m95 -98.73 156.59 16.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 40.4 p90 -162.64 161.28 19.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.69 8.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.0 t -84.88 -16.59 40.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -71.57 -41.38 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -64.1 -61.78 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 15' ' ' ALA . 3.3 m -62.75 -177.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -132.82 144.23 50.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.731 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.4 tt0 -89.67 146.94 24.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.527 ' CD1' HD11 ' A' ' 34' ' ' ILE . 11.9 mt -105.34 -58.45 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -46.67 134.17 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -26.98 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -75.86 -9.47 58.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.589 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -109.31 118.72 37.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -90.05 103.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 11' ' ' LEU . 23.8 m -125.11 135.47 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -93.55 136.95 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.871 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -57.24 162.84 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -102.08 -46.99 4.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 26.5 p90 -147.98 -171.56 3.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 5.5 t-20 -73.78 105.41 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.648 ' HB3' HG12 ' A' ' 29' ' ' VAL . 30.8 t80 -96.91 138.37 34.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 117.61 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.7 pt20 -67.47 141.33 56.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.87 -12.22 59.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.8 m120 -168.38 169.51 10.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -5.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.37 -37.86 25.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -178.2 5.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -98.28 162.6 13.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.7 t -138.11 139.95 39.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.871 HG21 ' HB2' ' A' ' 15' ' ' ALA . 8.0 p -146.47 156.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.3 t -113.73 -86.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 143.65 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.27 63.94 4.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.498 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -141.47 89.94 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -52.81 126.99 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.504 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.02 150.23 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 34.6 m-85 -107.79 111.07 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 40' ' ' VAL . 10.8 t -84.4 120.33 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.37 -44.55 4.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.7 ttm180 -69.45 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.817 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.6 t 75.74 75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -100.15 149.23 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.81 0.46 41.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.01 -44.65 97.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.51 -31.94 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -100.95 156.83 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.817 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.13 131.11 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 7.3 tt0 -103.27 121.47 42.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.37 -158.65 7.62 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.01 132.32 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.423 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.2 tp -111.13 167.38 10.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.485 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.4 m-80 -45.99 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.86 29.64 74.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -135.78 166.97 22.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 0.793 . . . . 0.0 110.36 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.488 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.7 t -160.16 170.59 20.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.51 -158.7 21.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 26.2 m95 -112.84 152.59 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.548 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 4.7 p90 -158.15 161.74 28.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.716 ' HA ' HG22 ' A' ' 62' ' ' VAL . 5.7 t -92.14 -53.69 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' SER . 7.8 m-20 -39.8 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 37.4 m-85 -73.19 -59.65 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.1 m -65.13 150.2 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.04 159.17 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.469 ' CD ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -110.26 139.04 45.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 31.7 mm -99.43 -47.18 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 122.35 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.6 m -94.24 -11.43 30.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 -9.34 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -111.65 121.55 45.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -91.74 110.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 64' ' ' GLU . 6.3 m -130.72 142.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.7 tppt? -102.75 141.02 36.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -176.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.381 1.05 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.07 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 13.3 p90 -146.12 177.08 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 23.1 m-80 -58.77 101.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -103.32 146.5 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.67 133.16 56.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -78.91 146.71 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 26' ' ' GLU . 8.8 t -80.81 -23.45 39.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -157.83 175.67 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -10.9 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.59 10.84 37.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' OE1' HG22 ' A' ' 22' ' ' THR . 13.4 tt0 -115.94 150.36 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.51 117.96 19.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.11 111.42 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -118.28 150.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -112.16 -79.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 138.23 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.73 63.11 5.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -140.52 91.83 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.09 134.67 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.717 HD11 HG11 ' A' ' 29' ' ' VAL . 1.4 mt -120.01 148.27 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.9 m-85 -105.06 110.74 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.744 HG12 HG22 ' A' ' 40' ' ' VAL . 13.1 t -82.59 117.97 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.14 -44.5 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.9 tpm_? -68.5 -69.81 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.744 HG22 HG12 ' A' ' 37' ' ' VAL . 34.2 t 72.33 75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.14 119.41 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.61 0.04 21.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.41 -47.2 92.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.38 -37.15 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -100.35 163.18 12.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -135.81 125.48 25.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.5 tt0 -99.13 121.81 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.57 -159.27 8.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.25 128.17 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.383 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.2 tp -108.99 167.89 9.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 6.0 p30 -45.25 91.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.09 28.95 74.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 5.1 mtt85 -135.98 159.05 42.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.458 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 56.5 m -157.62 148.77 21.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 160.15 -171.18 36.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.405 1.066 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 30.3 m95 -109.55 130.56 55.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' ILE . 47.6 p90 -139.8 160.32 61.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.81 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 47.8 t -81.72 -21.98 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.61 -39.29 91.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.19 -62.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.9 m -61.01 -177.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -129.94 134.98 47.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 34' ' ' ILE . 5.5 mt -105.48 -58.82 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -44.4 112.57 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -80.93 -15.8 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -85.32 -9.37 57.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.605 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -123.83 121.14 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.7 mp -91.58 111.6 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 62' ' ' VAL . 5.3 m -132.17 131.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.695 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -86.76 132.98 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -54.58 151.13 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HD2' ' CA ' ' A' ' 61' ' ' TYR . 2.2 ttt85 -81.7 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' CYS . 38.9 p90 -148.53 -169.57 3.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.99 121.19 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 29' ' ' VAL . 73.8 t80 -132.07 104.68 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -77.54 136.69 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 10.6 pt20 -83.97 148.0 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 p -84.71 -23.02 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 20.7 m-80 -156.03 173.43 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -71.6 -20.42 61.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.81 7.5 20.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -110.82 149.52 30.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -77.3 117.0 18.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.448 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 1.2 p -97.56 112.24 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.779 HG12 HD22 ' A' ' 50' ' ' LEU . 24.4 m -125.06 137.42 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -102.71 -72.09 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.57 149.19 13.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.49 59.59 5.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.458 ' OD2' HD21 ' A' ' 50' ' ' LEU . 1.3 m-20 -138.68 88.85 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.695 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -57.29 130.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.515 HD11 HG11 ' A' ' 29' ' ' VAL . 1.6 mp -115.29 140.2 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.511 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 35.5 m-85 -93.89 110.82 22.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.766 HG12 HG22 ' A' ' 40' ' ' VAL . 14.7 t -81.81 118.59 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.91 -43.49 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 3.5 ttt180 -70.95 -72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.766 HG22 HG12 ' A' ' 37' ' ' VAL . 20.9 t 76.49 78.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 mm-40 -103.74 149.9 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.61 -1.8 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.54 -46.08 94.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.47 -32.17 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -100.6 160.26 14.5 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.83 127.93 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.038 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 4.5 tt0 -99.61 119.33 37.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.18 -159.7 8.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.42 131.85 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.417 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.779 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -110.75 166.79 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' H ' HD12 ' A' ' 50' ' ' LEU . 45.9 m-80 -42.7 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 60.29 38.47 94.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -135.7 171.0 15.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.697 ' C ' HD22 ' A' ' 27' ' ' LEU . 9.1 t -158.86 163.55 36.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.59 -171.25 20.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.549 1.156 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 20.8 m95 -107.74 173.36 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -175.89 159.28 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.04 127.5 10.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.3 p -89.45 -28.0 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -42.4 -33.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -95.94 -57.99 2.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.456 1.098 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -43.36 117.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.8 tpt180 -82.39 143.55 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.6 tt0 -90.31 152.61 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.92 -55.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -48.42 129.59 15.99 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -13.49 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -9.31 31.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.638 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.02 121.7 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.223 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp -91.52 106.56 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.9 m -128.7 142.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.3 tppt? -98.36 141.25 31.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -68.86 155.59 39.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -82.21 -60.75 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' CYS . 44.9 p90 -148.66 -169.35 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -59.44 109.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HB3' HG12 ' A' ' 29' ' ' VAL . 50.7 t80 -106.82 134.4 50.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -104.72 127.87 52.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.9 pt20 -79.49 143.22 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -71.93 -15.56 62.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.7 m120 -175.55 160.48 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.4 -16.76 10.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.95 -37.22 72.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -82.03 179.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -94.25 162.72 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -141.85 126.54 18.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' ' 15' ' ' ALA . 9.8 p -129.06 156.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -111.03 -75.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 153.32 14.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.47 63.75 1.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.61 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -139.34 90.08 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -52.45 125.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.485 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.01 143.76 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.541 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.9 m-85 -99.63 110.57 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.682 HG12 HG22 ' A' ' 40' ' ' VAL . 9.9 t -83.05 118.11 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -107.21 -45.0 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.1 tpm_? -67.54 -69.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 37' ' ' VAL . 40.4 t 71.33 76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.61 117.96 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.15 -3.62 27.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.95 -47.24 88.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.22 -34.97 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 61.9 m95 -100.45 157.13 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.651 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.82 120.31 21.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 2.2 tt0 -95.21 125.1 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.541 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.5 -158.8 7.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -137.88 127.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.99 167.15 10.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.461 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.0 m-80 -46.18 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.81 28.42 73.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -134.68 166.06 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 27' ' ' LEU . 9.2 m -158.27 170.88 21.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.631 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 130.85 -159.11 22.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.602 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 21.3 m95 -118.45 141.85 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.599 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 3.1 p90 -144.37 161.45 44.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.03 112.6 3.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 62' ' ' VAL . 65.8 p -75.56 -37.05 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -38.31 54.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -72.9 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 59' ' ' SER . 5.1 m -63.31 149.36 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 62.5 ttt180 -94.47 146.79 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -95.59 149.03 21.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mm -106.49 -64.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -42.03 115.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.5 p -87.02 -8.72 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.4 p -94.0 -9.32 37.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.7 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.25 118.14 35.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' ILE . 2.7 mp -89.93 111.22 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 64' ' ' GLU . 28.8 m -136.19 130.11 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.654 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.2 tppt? -81.9 140.73 33.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -59.73 -178.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -123.23 -48.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 24.0 p90 -147.67 -170.67 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.539 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 10.9 m-20 -77.11 106.47 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.532 ' HB3' HG12 ' A' ' 29' ' ' VAL . 26.3 t80 -94.05 148.53 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -122.02 115.46 22.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 9.6 pt20 -68.48 143.96 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.91 -14.17 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.436 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 37.8 m-20 -172.01 172.66 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -72.47 -8.49 55.37 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -30.15 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 1.9 tt0 -86.98 -170.44 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 54' ' ' THR . 0.6 OUTLIER -109.57 160.61 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' HD23 ' A' ' 27' ' ' LEU . 48.4 t -136.58 144.46 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 15' ' ' ALA . 11.9 p -147.01 149.72 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -78.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.257 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 152.66 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.04 59.07 3.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.564 ' HB3' HD11 ' A' ' 50' ' ' LEU . 3.2 m-20 -136.79 86.85 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.73 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.14 133.11 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.68 140.98 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.535 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.7 m-85 -95.65 110.27 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.816 HG12 HG22 ' A' ' 40' ' ' VAL . 12.4 t -82.29 125.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -49.32 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 8.5 ttm180 -71.43 -68.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG12 ' A' ' 37' ' ' VAL . 14.8 t 76.0 74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 mt-10 -105.43 120.77 42.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.52 1.15 20.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.057 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.47 -49.89 58.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.52 -44.39 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.552 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 45.3 m95 -100.44 173.77 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.791 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -139.57 133.17 30.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.967 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.0 tt0 -102.58 110.9 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.0 -158.29 8.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -141.93 136.24 30.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 110.424 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 33' ' ' ASP . 59.7 tp -112.9 168.33 9.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.423 ' H ' HD12 ' A' ' 50' ' ' LEU . 46.5 m-80 -45.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.9 32.22 80.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 3.1 mtt85 -137.22 167.02 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.647 ' C ' HD12 ' A' ' 27' ' ' LEU . 14.6 t -159.85 168.57 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.618 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 126.25 -163.56 20.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 40.3 m95 -103.67 158.45 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' A' ' 62' ' ' VAL . 12.0 p90 -162.73 162.93 18.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.09 121.83 6.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 62' ' ' VAL . 13.4 p -90.54 -53.98 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -41.3 -38.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 44.5 m-85 -67.67 -59.15 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.8 m -67.86 149.9 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -91.3 154.58 19.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.845 ' HA ' HG12 ' A' ' 13' ' ' VAL . 23.5 tt0 -97.92 149.77 22.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -108.44 -55.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -49.91 121.64 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -88.9 -17.22 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.387 1.055 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -87.2 -9.24 55.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.3 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -120.88 121.31 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.14 108.44 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 ' O ' HD13 ' A' ' 34' ' ' ILE . 26.9 m -127.61 149.23 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.0 tppt? -108.65 145.97 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.37 157.59 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -61.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.8 p90 -148.62 -170.03 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.403 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 8.3 m-80 -55.58 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.705 ' HB3' HG23 ' A' ' 29' ' ' VAL . 19.1 t80 -109.23 114.12 27.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 146.01 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.14 141.88 29.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -70.73 -21.47 62.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -167.3 158.83 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -26.91 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -46.47 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.91 178.87 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -93.02 164.64 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.462 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -138.26 135.7 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -140.1 161.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' PHE . 38.3 t -115.99 -76.94 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -174.68 132.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 59.57 52.68 51.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.855 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -114.77 -31.67 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.68 122.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mp -117.7 149.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 109.205 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 40.9 m-85 -109.2 111.2 22.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 4.9 t -81.86 122.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.55 -46.72 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' CD ' ' CH2' ' A' ' 56' ' ' TRP . 35.1 ttm-85 -69.37 -70.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.873 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 24.3 t 71.99 77.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 39' ' ' ARG . 7.9 mm-40 -110.69 162.43 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.8 pt-20 -103.59 -16.05 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -36.31 -52.59 1.31 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.83 -33.93 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -105.54 161.39 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.873 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -127.8 128.4 45.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.037 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 15.4 tt0 -98.25 122.28 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.69 -159.04 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.07 136.39 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 33' ' ' ASP . 61.6 tp -116.82 167.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 50' ' ' LEU . 51.4 m-80 -44.44 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.01 31.69 81.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -134.25 168.54 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.95 170.33 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.97 -163.28 22.37 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 39' ' ' ARG . 18.9 m95 -112.37 170.99 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.591 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 51.4 p90 -175.48 161.12 2.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.94 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.511 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 87.9 p -73.62 -23.81 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.07 -35.64 81.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.4 m-85 -71.72 -62.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.07 145.26 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.13 162.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.44 138.15 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 27.4 mm -102.22 -49.0 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.98 121.85 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -91.65 -13.65 31.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.092 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -95.28 -9.32 33.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.3 121.8 44.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -93.78 112.64 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 64' ' ' GLU . 21.5 m -135.45 137.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.5 tppt? -94.25 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.46 146.53 54.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -72.75 -67.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.3 p90 -147.62 -170.83 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.22 112.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 19.8 t80 -126.79 96.14 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.6 132.95 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt20 -77.7 142.1 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -75.37 -12.12 60.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 25.9 m120 -157.52 150.92 23.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -8.58 31.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.77 -30.99 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 3.1 tt0 -71.7 175.96 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -83.86 125.98 32.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.9 108.3 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -118.49 148.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' PHE . 3.0 t -111.48 -68.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 108.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 144.7 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.89 64.16 3.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 42.6 m-20 -143.68 94.66 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.91 139.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.741 HD11 HG11 ' A' ' 29' ' ' VAL . 2.5 mt -125.61 149.42 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 33.8 m-85 -107.79 110.71 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.771 HG12 HG22 ' A' ' 40' ' ' VAL . 15.4 t -80.2 120.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.55 -44.68 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 5.2 ttm180 -70.96 -73.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.771 HG22 HG12 ' A' ' 37' ' ' VAL . 17.2 t 77.9 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 1.5 mm-40 -100.26 148.54 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.26 -1.56 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 -45.17 97.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.98 -31.11 0.4 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -100.96 157.8 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.21 132.89 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.7 tt0 -106.83 115.85 30.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.07 -153.72 7.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -143.46 132.46 22.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 33' ' ' ASP . 60.8 tp -109.94 166.82 10.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.521 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -45.07 92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 65.57 33.88 87.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.93 169.06 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.681 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -159.55 165.33 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 133.84 -160.05 23.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.51 175.19 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 16.8 p90 178.99 160.43 0.7 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.579 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.6 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.588 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 86.2 p -72.85 -32.29 65.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -35.96 77.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.9 m-85 -70.56 -59.5 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 58' ' ' PRO . 2.3 m -53.08 -179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -118.71 145.36 45.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -92.47 138.52 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.598 HG13 HD11 ' A' ' 34' ' ' ILE . 24.2 mm -105.14 -34.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -86.54 119.44 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -82.63 -25.69 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -11.23 60.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 23.7 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -122.37 124.65 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -94.84 111.92 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.624 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.6 m -130.44 133.57 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -90.19 130.42 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -50.33 159.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -89.62 -63.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.75 -175.49 5.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -53.5 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 58.7 t80 -105.46 144.3 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -112.77 133.09 54.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.91 144.0 37.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.1 p -76.39 -20.98 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.0 167.32 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.34 -6.11 48.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.11 -30.25 14.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -70.33 168.58 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.4 146.83 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 112.0 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.047 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -121.01 149.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.34 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.44 132.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.87 51.11 54.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.646 ' HB3' HD11 ' A' ' 50' ' ' LEU . 12.6 m-20 -133.03 88.27 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.717 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -55.91 135.47 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.047 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.26 138.1 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.521 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.6 m-85 -90.96 111.01 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 40' ' ' VAL . 5.0 t -82.06 120.71 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 -44.1 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.479 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 3.5 tpt180 -72.82 -73.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.782 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.0 t 77.32 77.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -102.54 151.25 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.21 -2.5 33.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.63 95.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.3 -30.97 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 52.1 m95 -101.38 154.86 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.782 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -130.68 129.25 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.6 tt0 -100.45 113.12 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.39 -152.82 7.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -148.95 134.08 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.462 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 33' ' ' ASP . 62.1 tp -112.36 168.59 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -46.74 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 70.93 28.02 71.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.536 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.56 157.45 46.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.495 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 96.9 m -158.11 145.44 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.81 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.23 -158.14 28.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.7 m95 -108.62 168.56 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -174.18 161.03 2.89 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -74.98 125.05 9.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' ASN . 87.4 p -91.61 -31.37 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' SER . 63.0 m-20 -39.62 -35.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -96.28 -56.22 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -44.05 117.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.82 140.68 32.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.236 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.2 tt0 -89.19 147.13 24.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mm -106.32 -56.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -49.76 119.95 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -89.33 -17.19 29.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -9.26 56.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.34 117.62 32.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 65' ' ' ILE . 1.8 mp -84.01 107.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 64' ' ' GLU . 34.4 m -126.89 144.5 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.506 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.1 tppt? -107.69 141.61 38.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.64 170.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -109.0 -58.37 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.1 p90 -146.07 167.46 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -49.5 93.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.2 t80 -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 111.082 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.83 129.1 55.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 6.1 pt20 -72.26 142.09 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -74.99 -19.71 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -151.75 164.44 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.84 -9.51 58.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.27 -14.22 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -87.17 166.37 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -77.81 124.42 27.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.71 104.06 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -107.63 168.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -130.71 -64.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -175.37 140.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 44.44 60.37 3.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.535 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.25 -36.18 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.625 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.22 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -118.02 136.6 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' THR . 47.3 m-85 -98.33 111.29 23.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 HG22 ' A' ' 40' ' ' VAL . 9.1 t -77.73 122.44 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.39 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.8 ttm180 -73.37 -73.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 16.3 t 79.52 77.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.8 mm-40 -103.76 151.07 23.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -4.4 29.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.06 -47.94 64.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.53 -33.86 0.29 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.548 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 58.5 m95 -100.88 164.22 11.93 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.768 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.01 133.28 37.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 10.7 tt0 -105.68 115.97 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.57 -152.24 7.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.27 134.03 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.438 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 27' ' ' LEU . 60.2 tp -112.98 167.83 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.483 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.6 m-80 -45.94 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.64 31.14 75.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HD2' HD23 ' A' ' 50' ' ' LEU . 1.3 mtt85 -138.28 159.48 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.505 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 92.4 m -157.65 146.93 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.866 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.57 -162.29 31.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 38.0 m95 -107.96 163.37 13.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -170.78 161.85 5.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.91 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.9 p -79.1 -15.71 57.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.01 -35.41 66.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.9 m-85 -70.43 -63.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.14 -177.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -129.83 151.28 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.659 ' HA ' HG12 ' A' ' 13' ' ' VAL . 26.5 tt0 -93.42 154.2 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' HG22 ' A' ' 12' ' ' ILE . 11.9 mm -110.38 -61.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 131.26 8.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -93.66 -12.65 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -9.32 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.366 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -113.04 122.02 46.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -90.49 111.39 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' ' 64' ' ' GLU . 32.1 m -135.89 139.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CE ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -99.35 141.42 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 177.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -112.05 -53.64 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -147.52 175.03 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 m120 -57.39 95.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.31 154.81 17.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.84 132.31 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt20 -80.99 140.78 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 -17.37 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.402 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 19.4 m120 -164.36 153.73 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.88 -16.3 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -33.92 51.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.591 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -76.99 171.15 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.7 138.15 38.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -119.81 91.19 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 35' ' ' ILE . 23.1 m -105.68 144.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 55.8 m -111.63 -79.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 136.65 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.4 62.3 6.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.785 ' HB3' HD11 ' A' ' 50' ' ' LEU . 22.6 m-20 -138.91 90.58 2.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.612 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.37 129.67 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 29' ' ' VAL . 1.8 mt -118.74 140.18 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 m-85 -99.14 111.42 23.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 40' ' ' VAL . 12.3 t -80.78 121.3 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -43.4 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.397 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -73.22 -73.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.743 HG22 HG12 ' A' ' 37' ' ' VAL . 16.4 t 78.52 77.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 4.2 mm-40 -103.19 150.04 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.45 -3.33 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.11 94.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.5 -31.44 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 55.3 m95 -101.12 158.2 16.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.706 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.22 130.43 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 9.4 tt0 -103.41 117.36 34.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -136.59 -155.55 7.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.63 168.11 9.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' H ' HD12 ' A' ' 50' ' ' LEU . 5.9 p30 -44.95 92.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 32.42 81.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.16 167.01 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 0.728 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.519 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 13.4 m -159.63 151.46 20.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.702 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 146.99 -171.67 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 35.2 m95 -99.51 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 30.4 p90 -169.05 161.72 7.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.512 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.9 112.34 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.556 ' HA ' HG22 ' A' ' 62' ' ' VAL . 10.3 p -81.46 -34.65 31.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -51.8 -41.43 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 26.6 m-85 -68.98 -61.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.3 m -57.26 160.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 152.95 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.729 ' HA ' HG12 ' A' ' 13' ' ' VAL . 31.3 tt0 -90.04 150.48 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 34' ' ' ILE . 13.3 mm -110.77 -37.9 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -90.46 102.94 15.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 p -71.5 -20.35 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -9.58 58.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.63 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.89 118.85 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -87.98 103.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' C ' HD13 ' A' ' 34' ' ' ILE . 33.4 m -123.1 139.44 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.3 tppt? -101.2 144.88 29.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 161.91 29.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -62.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -149.78 176.13 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.55 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . 79.9 t80 -102.62 142.42 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -111.63 139.57 46.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.46 ' CG ' ' OG ' ' A' ' 28' ' ' SER . 7.2 pt20 -88.52 144.94 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.7 p -73.24 -18.82 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 10.2 m120 -153.94 155.2 35.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 53' ' ' ARG . 1.1 pm0 -67.29 -9.88 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.34 -33.3 22.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -71.44 -177.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.08 129.11 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -115.16 104.6 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.945 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.15 149.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.6 m -108.88 -86.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 129.46 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.19 60.58 6.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.632 ' HB3' HD11 ' A' ' 50' ' ' LEU . 44.5 m-20 -137.45 89.96 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -56.26 131.63 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.945 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -119.24 138.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 36.0 m-85 -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HG22 ' A' ' 40' ' ' VAL . 13.8 t -81.61 122.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -44.57 4.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -71.95 -73.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.857 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 15.7 t 77.56 77.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.9 mm-40 -103.57 150.16 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.4 1.04 40.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.32 -45.54 95.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.595 1.184 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.6 -32.52 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.3 m95 -100.91 156.51 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.857 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.89 127.5 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 108.04 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.5 tt0 -98.5 118.09 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -135.43 -160.02 8.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.71 127.17 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.385 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 33' ' ' ASP . 66.4 tp -110.78 168.15 9.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 1.087 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.451 ' H ' HD12 ' A' ' 50' ' ' LEU . 5.6 p30 -45.11 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 59.69 39.46 95.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -152.29 119.26 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.513 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 18.9 m -116.72 154.05 31.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 153.08 -176.43 31.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 38.2 m95 -96.8 168.77 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -178.54 160.84 1.13 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 124.65 8.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 62' ' ' VAL . 12.9 p -88.21 -38.77 15.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -50.14 -32.97 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.213 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 18.0 m-85 -77.64 -54.16 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.7 m -67.82 149.16 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -85.34 158.73 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -109.91 137.87 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 38.7 mm -100.26 -58.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.31 121.89 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -92.3 -12.6 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -9.25 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.28 122.71 46.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.421 1.075 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.54 HG23 HD12 ' A' ' 34' ' ' ILE . 2.5 mp -89.09 110.03 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 64' ' ' GLU . 35.9 m -133.44 135.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -94.72 140.77 29.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -65.95 162.47 19.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 1.3 ttm180 -90.03 -59.07 2.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' CYS . 37.0 p90 -148.71 -169.45 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -56.31 119.44 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' A' ' 29' ' ' VAL . 21.6 t80 -125.6 121.11 32.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 139.7 32.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -84.85 148.06 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -77.87 -20.58 52.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -165.38 172.59 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -13.49 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -27.07 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 2.9 tt0 -92.31 163.8 13.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -82.1 167.01 19.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.51 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 t -144.46 134.33 23.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 50' ' ' LEU . 6.9 m -141.71 146.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -104.16 -77.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.73 147.09 21.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.65 62.68 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.505 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -137.22 88.64 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -53.46 129.94 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -115.32 150.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 28.2 m-85 -108.69 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 40' ' ' VAL . 14.2 t -82.34 120.42 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.23 -44.73 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 4.1 ttm180 -70.07 -74.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 37' ' ' VAL . 18.9 t 78.22 77.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.46 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.7 mm-40 -103.97 149.89 24.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.4 -0.65 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.59 93.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.39 -31.92 0.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.607 0.828 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.539 ' CZ3' ' CD ' ' A' ' 26' ' ' GLU . 67.4 m95 -100.97 161.84 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.708 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -136.12 123.39 21.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 8.2 tt0 -96.0 122.17 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.32 -156.1 6.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.83 133.68 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 29' ' ' VAL . 63.0 tp -111.4 167.6 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.488 ' H ' HD12 ' A' ' 50' ' ' LEU . 57.2 m-80 -46.03 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.4 30.31 76.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -135.95 168.53 19.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.91 170.52 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.93 -172.93 19.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.0 m95 -101.51 156.47 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 38.3 p90 -163.18 161.78 18.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 127.67 10.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 88.4 p -85.65 -35.01 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -60.56 -39.1 86.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 9.1 m-85 -63.93 -58.65 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 15' ' ' ALA . 11.9 m -67.32 161.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HG3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -98.76 155.37 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -100.26 138.28 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 44.5 mm -102.61 -36.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -82.42 108.71 16.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.8 p -76.64 -21.64 55.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.02 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.8 t -73.92 -9.71 58.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.495 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.95 121.92 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 HG23 HD12 ' A' ' 34' ' ' ILE . 2.3 mp -91.54 104.4 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' ILE . 22.5 m -123.72 141.77 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 7.7 tppt? -97.64 149.86 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -70.31 150.03 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -45.55 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 14.3 p90 -148.61 179.25 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.09 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 39.4 m-20 -69.1 107.74 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.675 ' HB3' HG12 ' A' ' 29' ' ' VAL . 51.5 t80 -96.64 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.92 124.22 48.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.81 147.71 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.061 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -90.53 -21.95 21.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -153.46 174.97 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -22.44 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -83.3 2.23 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.41 147.23 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.07 117.07 18.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.31 102.78 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.845 HG21 HD11 ' A' ' 35' ' ' ILE . 5.4 p -108.11 155.15 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 m -120.09 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.25 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -144.91 143.78 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.74 64.22 3.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.585 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -141.59 93.53 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -55.83 128.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 29' ' ' VAL . 2.1 mt -116.59 139.58 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.527 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 45.2 m-85 -95.68 111.4 23.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.2 t -83.59 119.87 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -44.54 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.2 tpm_? -69.02 -71.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.82 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 35.3 t 72.83 79.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.17 151.06 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -100.35 -4.14 29.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.51 -45.16 96.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.09 -30.5 0.43 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -100.76 154.36 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.82 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -130.69 131.11 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 107.974 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 3.8 tt0 -104.66 123.71 48.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.8 -151.93 5.84 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.56 1.162 . . . . 0.0 111.053 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.41 129.25 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 27' ' ' LEU . 64.6 tp -109.92 167.78 9.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -46.39 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.45 30.11 71.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.615 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -139.45 158.59 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.712 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 48.4 m -159.25 151.34 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 151.97 -146.54 15.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 15.7 m95 -125.15 158.05 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -161.11 162.47 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.2 Cg_endo -75.08 116.7 4.65 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.566 1.824 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' TYR . 1.6 t -86.19 -36.71 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -39.98 -29.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' SER . 28.8 m-85 -96.84 -53.01 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -45.11 148.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.327 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.69 145.04 28.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -100.9 137.5 39.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 24.3 mm -103.46 -59.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.67 127.34 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -94.14 -17.18 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.1 m -96.18 -9.38 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.553 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.1 pp20? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -106.04 120.89 42.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.17 109.45 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.579 ' C ' HD13 ' A' ' 34' ' ' ILE . 21.3 m -132.85 141.47 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.4 tppt? -97.96 139.52 33.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -55.58 164.35 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -97.25 -60.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.21 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 15.3 p90 -148.63 -175.55 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -56.94 105.48 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -115.24 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 141.79 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.78 143.73 30.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 p -75.88 -16.74 60.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -171.99 162.72 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.62 -12.78 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -36.54 60.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.605 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -86.58 174.44 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -88.81 171.41 9.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.775 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.85 129.38 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.963 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.987 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -136.52 158.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.2 m -115.78 -83.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.244 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 138.29 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.65 62.85 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.628 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -143.34 92.82 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.67 HD11 HG13 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -56.48 132.54 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -121.23 140.08 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.531 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 38.3 m-85 -97.24 110.85 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 40' ' ' VAL . 10.5 t -83.18 118.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.05 -45.19 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.5 tpm_? -66.8 -69.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.192 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 37' ' ' VAL . 42.4 t 70.93 77.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.85 126.79 52.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.58 1.36 30.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.56 94.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.06 -35.37 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.605 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.5 m95 -100.58 157.84 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.21 128.78 38.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.7 tt0 -103.04 121.73 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.09 -161.5 8.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -136.66 125.85 24.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.987 HD22 HG12 ' A' ' 29' ' ' VAL . 62.1 tp -103.41 167.67 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.2 m-80 -46.68 91.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.37 26.73 74.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.06 166.48 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 t -159.88 170.31 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.579 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.52 -162.97 23.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 29.5 m95 -112.55 148.6 34.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 48.2 p90 -153.58 159.4 32.15 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.99 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -92.14 -26.33 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -47.46 -32.86 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -95.89 -54.67 3.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.88 139.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -89.35 142.73 27.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.24 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -94.04 139.31 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.67 HG13 HD11 ' A' ' 34' ' ' ILE . 46.9 mm -106.71 -47.87 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 5.5 ttpt -77.99 102.06 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -21.6 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -10.88 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' CB ' HD21 ' A' ' 11' ' ' LEU . 4.6 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.05 122.54 47.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.756 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -85.86 114.81 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 64' ' ' GLU . 27.1 m -136.35 140.49 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.552 ' CD ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -94.84 154.58 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.82 151.33 24.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -63.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.1 p90 -148.29 -169.62 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -54.52 106.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' HB3' HG23 ' A' ' 29' ' ' VAL . 33.6 t80 -115.2 113.32 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -93.72 132.2 38.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -73.33 146.09 45.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -75.96 -15.54 60.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -169.4 161.33 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -20.6 65.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -45.6 87.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.192 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -179.85 6.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -95.94 158.63 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 13.1 t -133.35 137.56 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -139.96 169.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.3 m -126.89 -77.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.259 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -159.63 142.11 13.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.17 56.22 2.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -102.95 -27.84 12.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.756 HD12 HG23 ' A' ' 12' ' ' ILE . 0.7 OUTLIER 67.81 113.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.668 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -115.56 149.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.532 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 26.1 m-85 -108.6 110.24 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.8 t -82.36 120.42 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.6 -46.27 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 3.7 ttm180 -62.63 -75.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.644 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 47.9 t 69.19 83.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 39' ' ' ARG . 5.9 mm-40 -127.26 177.02 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 44' ' ' GLY . 6.2 pt-20 -103.64 -11.53 17.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -37.11 -30.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLU . . . 133.74 -36.5 2.11 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -100.61 174.93 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.644 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -137.78 123.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.2 tt0 -93.91 116.64 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -133.2 -161.95 9.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.72 136.88 29.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.42 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 33' ' ' ASP . 55.3 tp -116.69 168.22 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.508 ' H ' HD12 ' A' ' 50' ' ' LEU . 44.4 m-80 -43.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.31 36.2 93.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 3.6 mtt-85 -138.04 167.95 20.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.628 ' C ' HD12 ' A' ' 27' ' ' LEU . 4.9 t -160.11 171.12 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 125.79 -173.62 17.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 110.961 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 33.1 m95 -101.0 173.81 6.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.566 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 55.7 p90 -179.09 160.9 1.0 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.9 t -79.87 -17.56 52.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.15 -30.88 67.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 6.0 m-85 -79.7 -53.08 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -69.51 139.18 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.1 ttt180 -82.57 156.28 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.0 tt0 -103.09 147.65 26.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.408 ' HB ' HG22 ' A' ' 12' ' ' ILE . 49.1 mm -106.88 -49.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -59.52 119.93 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -12.53 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -91.56 -9.33 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 m -145.22 -58.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.976 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 41.19 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -153.8 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.14 80.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.952 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -79.25 110.45 14.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 110.028 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.1 -80.4 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -157.02 128.31 6.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.055 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 74' ' ' SER . 1.7 t60 -101.98 18.71 19.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.551 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -41.34 137.06 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.99 124.32 48.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.573 ' CG2' HD12 ' A' ' 34' ' ' ILE . 3.2 mp -92.74 112.6 26.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.531 HG12 ' HA ' ' A' ' 64' ' ' GLU . 26.8 m -132.33 134.94 58.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.495 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.8 tppt? -92.95 144.29 25.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.24 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.08 168.01 2.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ttm-85 -103.97 -58.41 1.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.77 -175.01 4.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -59.45 103.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.3 t80 -114.98 113.85 24.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -89.54 141.02 28.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.15 138.36 33.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 p -74.27 -26.05 59.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.417 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -158.03 160.63 37.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -63.26 -24.59 67.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -37.33 84.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' OE1' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -86.47 177.3 7.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.69 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -92.25 170.88 9.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.69 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -148.24 122.59 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.021 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -129.55 154.1 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.31 -79.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 108.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.81 144.73 19.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.52 64.39 3.7 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.692 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -142.75 91.62 2.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.573 HD12 ' CG2' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -56.62 129.02 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mt -114.13 148.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.157 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.1 m-85 -106.22 111.53 24.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.764 HG12 HG22 ' A' ' 40' ' ' VAL . 10.4 t -83.79 120.34 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.26 4.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 110.379 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.9 tpm_? -70.83 -72.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.808 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.8 t 75.39 77.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.55 151.42 22.9 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -100.13 -4.35 29.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.16 91.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.0 -30.75 0.39 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CZ3' ' OE1' ' A' ' 26' ' ' GLU . 56.9 m95 -100.79 156.82 17.14 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.808 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.03 125.37 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.5 tt0 -97.31 121.72 39.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.97 -157.54 7.19 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.45 1.094 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.43 132.96 25.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.796 . . . . 0.0 110.477 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.021 HD22 HG12 ' A' ' 29' ' ' VAL . 64.2 tp -109.98 167.63 10.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.243 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.474 ' H ' HD12 ' A' ' 50' ' ' LEU . 50.2 m-80 -47.2 92.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.25 26.51 74.55 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.439 1.087 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.69 166.68 22.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 55' ' ' GLY . 18.9 m -160.21 170.45 21.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.547 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.02 -173.11 18.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 31.1 m95 -98.8 157.68 16.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.448 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 53.2 p90 -165.05 161.03 14.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.552 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 116.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.758 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.577 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 13.5 p -75.7 -42.17 51.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -51.54 -36.85 46.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.5 m-85 -67.37 -62.26 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 m -64.03 157.69 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.77 159.59 15.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.531 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -107.07 138.13 43.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.451 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 13.2 mm -101.95 -53.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.41 122.86 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.47 -13.19 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.948 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.95 -9.24 40.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -98.86 -33.25 10.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -56.92 -57.49 12.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.165 . . . . 0.0 110.324 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.92 10.42 14.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.95 86.17 0.17 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 59.03 5.1 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.446 1.761 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 9' ' ' HIS . 5.1 t 73.9 -69.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.7 p -158.23 -56.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.055 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.066 0 O-C-N 124.455 1.097 . . . . 0.0 110.98 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 p -174.67 97.92 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 0.759 . . . . 0.0 110.02 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 p -145.88 168.37 20.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.84 88.6 0.12 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t 60.29 85.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 m -85.88 149.38 25.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.94 -154.65 53.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.55 156.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 0.784 . . . . 0.0 109.979 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -126.58 120.77 30.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.612 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.04 148.36 36.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.17 126.41 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -94.38 110.34 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 64' ' ' GLU . 16.2 m -130.42 146.36 34.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.406 1.066 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.4 tppt? -106.28 144.49 32.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.72 175.25 0.66 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -111.12 -53.19 2.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 8.6 p90 -147.75 172.51 13.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.05 100.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' HB3' HG23 ' A' ' 29' ' ' VAL . 31.6 t80 -108.38 118.34 36.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.41 138.23 32.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.615 1.197 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -79.84 145.14 32.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.637 HG22 ' OE1' ' A' ' 26' ' ' GLU . 9.8 t -79.81 -24.34 41.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -157.68 -177.03 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.45 -18.21 52.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.93 10.46 21.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.637 ' OE1' HG22 ' A' ' 22' ' ' THR . 16.8 tt0 -115.53 152.56 32.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.23 121.33 23.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 p -102.82 105.84 16.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.1 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -117.78 143.29 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.311 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -108.46 -77.21 0.6 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.278 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.31 138.35 12.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.97 62.94 5.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.68 ' HB3' HD11 ' A' ' 50' ' ' LEU . 4.7 m-20 -141.4 92.29 2.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -56.74 136.1 19.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.918 HD11 HG11 ' A' ' 29' ' ' VAL . 2.2 mt -121.22 144.39 30.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.7 m-85 -101.09 111.4 23.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.615 HG12 HG22 ' A' ' 40' ' ' VAL . 6.3 t -84.09 116.84 28.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.66 -44.71 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.575 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.2 tpm_? -65.45 -70.12 0.25 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.088 . . . . 0.0 110.263 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.615 HG22 HG12 ' A' ' 37' ' ' VAL . 48.0 t 68.97 78.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.5 mm-40 -108.28 152.02 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -100.88 -5.28 26.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.415 1.072 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.2 -48.53 53.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.151 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.1 -31.08 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 38.7 m95 -100.79 167.68 10.14 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -140.8 121.27 14.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 108.042 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.2 tt0 -94.68 137.78 33.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -152.37 -159.06 8.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 111.079 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.61 127.1 16.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.371 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.798 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.3 tp -107.28 167.2 10.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.504 ' H ' HD12 ' A' ' 50' ' ' LEU . 38.9 m-80 -46.02 91.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 31.09 77.27 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.66 165.88 25.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 0.732 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.541 ' C ' HD22 ' A' ' 27' ' ' LEU . 14.8 m -160.48 165.04 31.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 54' ' ' THR . . . 140.59 -177.3 20.89 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.575 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 26.9 m95 -105.79 130.98 53.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' CE2' HG21 ' A' ' 35' ' ' ILE . 41.9 p90 -136.86 160.58 65.75 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 124.84 8.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.597 1.841 . . . . 0.0 111.049 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.555 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 91.0 p -81.94 -23.69 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.29 -35.57 81.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.7 m-85 -72.59 -59.87 2.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.4 m -64.93 168.34 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 14' ' ' LYS . 5.3 ttp180 -118.12 148.06 42.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.588 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.3 tt0 -89.69 147.59 23.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.451 HG13 HD11 ' A' ' 34' ' ' ILE . 50.0 mm -107.24 -54.88 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -53.91 112.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.4 m -77.92 -20.54 52.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.082 . . . . 0.0 109.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.5 -9.3 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' OE1' ' CA ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -91.15 -26.68 18.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -39.3 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.03 8.8 43.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.973 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -145.5 77.63 0.26 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 63.54 6.03 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 m 58.94 106.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.02 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.83 120.81 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.132 . . . . 0.0 111.017 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.33 109.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 0.715 . . . . 0.0 109.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -172.81 102.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.03 -82.24 0.65 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -57.81 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 0.776 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.6 t -68.32 128.48 36.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.56 67.07 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.592 1.182 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.92 124.46 6.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -77.46 115.0 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.603 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 146.07 29.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.377 1.048 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.602 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.99 120.36 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -89.51 111.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 64' ' ' GLU . 24.5 m -135.8 129.13 47.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.593 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.4 tppt? -82.9 137.11 34.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.783 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -55.97 -172.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -130.91 -49.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 22.2 p90 -146.71 -173.28 4.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.573 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 47.6 m-20 -72.89 110.67 7.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.631 ' HB3' HG12 ' A' ' 29' ' ' VAL . 37.4 t80 -97.45 148.3 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.34 117.96 27.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.64 139.12 49.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.255 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 65.5 p -75.12 -10.79 59.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.083 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -175.75 163.35 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.07 -13.83 30.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.8 -37.95 62.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -78.84 -178.49 6.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -100.36 164.47 11.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 27' ' ' LEU . 29.0 t -139.18 140.81 37.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.403 1.064 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 15' ' ' ALA . 12.3 p -144.51 153.41 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' PHE . 19.5 t -112.84 -79.19 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 108.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.42 150.84 23.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.59 57.98 3.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.567 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -134.94 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 0.738 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -52.57 130.58 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.497 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -114.69 136.56 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.1 m-85 -91.13 111.09 22.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.957 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 12.7 t -83.2 120.34 34.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.3 -44.82 4.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.454 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.4 ttm180 -69.34 -72.59 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.702 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.7 t 75.91 78.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.454 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.0 mm-40 -104.23 150.88 24.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.27 -2.91 32.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.62 -46.11 93.73 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.49 -31.29 0.37 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 56.4 m95 -100.7 158.63 15.81 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.702 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.14 125.84 30.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 108.072 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 5.8 tt0 -98.65 120.6 39.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.17 -156.59 6.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.47 132.46 29.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 0.755 . . . . 0.0 110.465 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 33' ' ' ASP . 64.2 tp -110.24 167.18 10.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.476 ' H ' HD12 ' A' ' 50' ' ' LEU . 48.3 m-80 -46.57 92.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.31 30.2 75.13 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -136.79 168.54 19.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 110.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 55' ' ' GLY . 21.7 m -159.86 170.88 20.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.605 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.57 -159.11 21.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.489 1.118 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.43 151.14 30.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 14.8 p90 -157.3 162.92 26.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.4 Cg_endo -74.96 119.84 5.83 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.671 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 83.7 p -91.03 -12.52 35.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -76.75 -51.13 11.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.602 1.189 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -57.0 -44.33 82.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 59' ' ' SER . 4.1 m -76.77 169.26 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -113.54 145.38 41.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.735 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.1 tt0 -90.22 149.84 22.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.538 HD11 HD11 ' A' ' 34' ' ' ILE . 18.1 mt -108.11 -62.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -43.48 122.43 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -85.09 -21.87 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.415 1.072 . . . . 0.0 110.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.8 m -82.02 -9.28 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.084 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.01 -27.14 13.99 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.477 1.111 . . . . 0.0 110.343 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.417 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -63.86 -50.35 69.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.25 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.9 t -92.29 8.37 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -147.81 89.13 0.15 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 111.021 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -41.35 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.565 1.824 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 p -145.69 146.48 31.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.86 -85.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.074 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.513 1.133 . . . . 0.0 110.951 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -170.97 110.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -75.8 111.56 11.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.58 1.175 . . . . 0.0 110.039 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.74 -170.6 7.75 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -142.55 129.0 20.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 109.951 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 49.38 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.02 75.94 0.4 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.89 161.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -62.96 170.16 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.558 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -161.72 111.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.549 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.57 123.43 46.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.35 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.542 HG23 HD12 ' A' ' 34' ' ' ILE . 2.7 mp -89.87 110.42 21.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 64' ' ' GLU . 33.6 m -133.55 132.77 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.407 1.067 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.3 tppt? -94.19 143.96 25.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -59.76 -178.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -121.73 -53.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 7.6 p90 -147.52 167.12 25.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 10.9 m120 -47.19 103.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.624 1.203 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.655 ' HB3' HG23 ' A' ' 29' ' ' VAL . 32.6 t80 -111.46 110.09 20.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.171 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -84.42 139.11 32.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.6 pt20 -76.51 146.37 38.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.4 p -78.26 -12.88 60.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 29.2 m-20 -174.29 170.04 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -4.9 31.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.317 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -81.77 -41.14 21.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -78.57 179.78 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.05 167.68 12.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.515 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.1 t -135.58 122.3 20.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.807 HG12 HD22 ' A' ' 50' ' ' LEU . 14.2 m -135.2 156.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -126.41 -88.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 108.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 144.33 31.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 49.74 64.54 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.609 ' HB3' HD11 ' A' ' 50' ' ' LEU . 2.4 m-20 -142.28 91.53 2.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 HD13 ' HA ' ' A' ' 34' ' ' ILE . 0.6 OUTLIER -58.2 132.49 22.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 ' CD1' HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.78 135.19 60.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.4 m-85 -93.98 111.1 22.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.716 HG12 HG22 ' A' ' 40' ' ' VAL . 13.0 t -81.49 119.33 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.587 1.179 . . . . 0.0 109.256 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.34 -44.68 4.47 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.472 1.107 . . . . 0.0 110.433 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -68.97 -72.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 HG12 ' A' ' 37' ' ' VAL . 21.5 t 75.61 78.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.3 mm-40 -104.12 151.05 23.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.31 -4.39 29.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.08 -46.33 91.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.36 -30.69 0.37 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.616 0.833 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.595 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 48.7 m95 -100.83 158.76 15.73 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.652 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.3 127.3 33.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 107.992 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.528 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.0 tt0 -100.35 120.48 40.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.518 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -139.42 -155.38 6.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.06 133.92 29.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.746 . . . . 0.0 110.376 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.807 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -111.72 167.34 10.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -45.73 93.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 64.7 28.75 73.72 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -133.97 169.71 16.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.417 0.716 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.505 ' CG2' ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -159.61 169.07 24.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.394 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.619 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.91 -168.94 22.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.528 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.6 m95 -106.12 166.14 10.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.473 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 44.9 p90 -172.11 161.71 4.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 111.064 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.06 123.66 8.01 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 p -81.58 -22.63 37.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.957 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -69.06 -36.41 77.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.45 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.8 m-85 -68.72 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 15' ' ' ALA . 4.0 m -63.32 153.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' LYS . 10.2 ttt180 -96.4 157.16 16.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -100.44 137.71 38.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.246 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 32.1 mm -103.49 -41.14 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 109.56 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.357 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.88 -12.87 57.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 1.129 . . . . 0.0 109.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.6 p -92.9 -9.35 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.955 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -89.28 -35.64 16.02 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.145 . . . . 0.0 110.267 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -68.04 -41.95 81.31 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.5 p -92.57 13.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 110.021 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -171.5 99.78 0.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' CB ' ' A' ' 74' ' ' SER . 18.5 Cg_endo -74.93 72.43 4.61 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 79.61 84.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -127.16 151.48 48.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -108.33 138.75 44.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 t -137.57 -58.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.43 -129.54 1.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.522 1.139 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -166.27 151.14 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 0.713 . . . . 0.0 110.082 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -133.88 129.77 36.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.89 -133.59 2.36 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m 60.89 157.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -109.28 -180.0 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.571 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -140.95 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.236 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -105.62 120.29 41.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -90.36 108.26 19.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.442 1.089 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.731 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.5 m -130.95 142.5 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.2 tppt? -104.96 142.43 34.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.58 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -60.79 178.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -114.81 -52.33 2.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.582 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 17.3 p90 -147.89 178.99 8.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 57.0 m-20 -54.61 109.89 0.56 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' HB3' HG23 ' A' ' 29' ' ' VAL . 87.6 t80 -115.17 129.58 56.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -102.44 139.75 37.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 11.5 pt20 -85.24 144.15 28.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -70.75 -19.5 62.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 110.363 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 34.5 m-20 -174.0 159.83 3.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.2 -20.16 16.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -65.93 -43.14 88.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.596 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -81.4 175.86 10.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.162 . . . . 0.0 110.246 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -89.09 163.02 15.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.42 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -141.49 133.22 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.959 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.968 HG12 HD22 ' A' ' 50' ' ' LEU . 14.4 m -140.17 150.26 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -112.05 -77.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.78 148.81 27.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.63 65.0 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.817 ' HB3' HD11 ' A' ' 50' ' ' LEU . 10.8 m-20 -137.25 87.61 2.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.566 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.41 126.55 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.565 HG13 HD13 ' A' ' 50' ' ' LEU . 1.9 mp -113.75 146.53 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.7 m-85 -106.2 111.04 23.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 111.102 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.734 HG12 HG22 ' A' ' 40' ' ' VAL . 10.7 t -82.96 120.76 34.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.37 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.15 -43.98 4.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -71.57 -73.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.806 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.1 t 77.41 78.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.6 mm-40 -103.84 150.04 24.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -100.49 -0.27 38.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.08 -45.82 95.8 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.15 -32.17 0.36 Allowed Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.596 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 59.9 m95 -100.6 157.99 16.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.806 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -133.96 125.38 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.063 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.6 tt0 -97.52 122.76 40.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.91 -157.1 7.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.76 133.68 24.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.475 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.968 HD22 HG12 ' A' ' 29' ' ' VAL . 63.1 tp -111.89 167.29 10.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.495 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.6 m-80 -46.81 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.232 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 68.37 27.9 73.53 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.526 1.141 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -136.11 166.3 23.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 0.774 . . . . 0.0 110.289 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.3 t -160.56 170.92 19.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.578 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.53 -173.63 18.63 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.13 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 32.7 m95 -98.73 156.59 16.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 40.4 p90 -162.64 161.28 19.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 124.69 8.79 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.541 1.811 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.569 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.0 t -84.88 -16.59 40.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.949 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -71.57 -41.38 69.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -64.1 -61.78 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 15' ' ' ALA . 3.3 m -62.75 -177.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 109.356 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -132.82 144.23 50.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.731 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.4 tt0 -89.67 146.94 24.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.527 ' CD1' HD11 ' A' ' 34' ' ' ILE . 11.9 mt -105.34 -58.45 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -46.67 134.17 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.375 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.72 -26.98 19.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.031 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.9 m -75.86 -9.47 58.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.036 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -96.04 -12.93 24.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -100.06 -42.93 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 m -74.8 -2.32 26.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.9 122.16 2.68 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.42 4.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.0 p -132.83 129.73 38.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 36.7 t -94.91 -57.12 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.085 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.549 1.155 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.46 112.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -175.25 148.61 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 110.036 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.06 -83.47 0.76 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 t -144.21 -68.85 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 0.777 . . . . 0.0 110.037 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.33 32.53 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.44 142.03 6.27 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.531 1.144 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.02 -66.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.763 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -145.89 157.22 43.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.575 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -178.25 129.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.589 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -109.31 118.72 37.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.589 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -90.05 103.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 11' ' ' LEU . 23.8 m -125.11 135.47 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -93.55 136.95 33.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.871 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -57.24 162.84 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -102.08 -46.99 4.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.503 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 26.5 p90 -147.98 -171.56 3.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.033 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 5.5 t-20 -73.78 105.41 5.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.648 ' HB3' HG12 ' A' ' 29' ' ' VAL . 30.8 t80 -96.91 138.37 34.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 1.182 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 117.61 31.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.7 pt20 -67.47 141.33 56.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.5 p -76.87 -12.22 59.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.437 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.8 m120 -168.38 169.51 10.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -5.24 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.37 -37.86 25.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.42 -178.2 5.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.238 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -98.28 162.6 13.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.247 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.7 t -138.11 139.95 39.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.14 . . . . 0.0 110.016 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.871 HG21 ' HB2' ' A' ' 15' ' ' ALA . 8.0 p -146.47 156.05 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.3 t -113.73 -86.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 108.315 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.8 143.65 22.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.372 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 52.27 63.94 4.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.498 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -141.47 89.94 2.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 0.772 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.589 HD12 HG23 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -52.81 126.99 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.504 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.02 150.23 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 34.6 m-85 -107.79 111.07 23.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 111.01 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.699 HG12 HG22 ' A' ' 40' ' ' VAL . 10.8 t -84.4 120.33 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.37 -44.55 4.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.427 1.08 . . . . 0.0 110.404 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.7 ttm180 -69.45 -73.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.817 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 21.6 t 75.74 75.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.138 . . . . 0.0 109.248 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -100.15 149.23 23.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -99.81 0.46 41.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.58 1.175 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.01 -44.65 97.06 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.59 1.181 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.51 -31.94 0.43 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -100.95 156.83 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.817 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.13 131.11 41.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 7.3 tt0 -103.27 121.47 42.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.52 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.37 -158.65 7.62 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.01 132.32 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.423 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 52' ' ' GLY . 63.2 tp -111.13 167.38 10.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.485 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.4 m-80 -45.99 92.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.86 29.64 74.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.069 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -135.78 166.97 22.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.548 0.793 . . . . 0.0 110.36 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.488 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.7 t -160.16 170.59 20.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.6 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 127.51 -158.7 21.3 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 26.2 m95 -112.84 152.59 29.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 4.7 p90 -158.15 161.74 28.18 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.96 126.93 10.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.716 ' HA ' HG22 ' A' ' 62' ' ' VAL . 5.7 t -92.14 -53.69 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' SER . 7.8 m-20 -39.8 -35.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 37.4 m-85 -73.19 -59.65 2.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.1 m -65.13 150.2 10.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.04 159.17 19.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.469 ' CD ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -110.26 139.04 45.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 31.7 mm -99.43 -47.18 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.79 122.35 11.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.6 m -94.24 -11.43 30.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.49 -9.34 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -96.59 -41.18 8.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.355 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.427 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -52.29 -57.93 8.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.49 13.99 9.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.32 -97.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.59 4.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t 48.81 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.6 t -39.49 111.34 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.08 . . . . 0.0 110.062 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.549 1.155 . . . . 0.0 110.914 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.56 99.0 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 0.812 . . . . 0.0 110.062 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m 61.32 84.28 0.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.81 -130.27 17.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -90.85 -60.65 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -138.03 -61.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.7 147.3 4.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 71.9 m -63.9 148.0 50.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 0.736 . . . . 0.0 110.022 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 8' ' ' SER . 41.6 m80 -156.3 -45.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.593 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -50.77 121.27 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -111.65 121.55 45.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -91.74 110.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 64' ' ' GLU . 6.3 m -130.72 142.65 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 109.374 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 4.7 tppt? -102.75 141.02 36.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.75 -176.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.381 1.05 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -120.07 -52.26 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.571 1.169 . . . . 0.0 110.284 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 13.3 p90 -146.12 177.08 9.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 23.1 m-80 -58.77 101.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -103.32 146.5 28.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.67 133.16 56.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -78.91 146.71 33.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.558 1.162 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 26' ' ' GLU . 8.8 t -80.81 -23.45 39.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.369 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -157.83 175.67 13.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -10.9 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.59 10.84 37.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.218 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' OE1' HG22 ' A' ' 22' ' ' THR . 13.4 tt0 -115.94 150.36 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -77.51 117.96 19.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.11 111.42 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.717 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -118.28 150.62 20.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.464 1.103 . . . . 0.0 109.261 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -112.16 -79.19 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.319 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.9 138.23 14.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.73 63.11 5.58 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.515 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -140.52 91.83 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.328 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -58.09 134.67 22.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.717 HD11 HG11 ' A' ' 29' ' ' VAL . 1.4 mt -120.01 148.27 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.523 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 36.9 m-85 -105.06 110.74 23.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.744 HG12 HG22 ' A' ' 40' ' ' VAL . 13.1 t -82.59 117.97 29.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.14 -44.5 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.605 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 5.9 tpm_? -68.5 -69.81 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.744 HG22 HG12 ' A' ' 37' ' ' VAL . 34.2 t 72.33 75.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -104.14 119.41 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -76.61 0.04 21.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.41 -47.2 92.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 168.38 -37.15 0.21 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 44.9 m95 -100.35 163.18 12.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -135.81 125.48 25.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.5 tt0 -99.13 121.81 41.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.57 -159.27 8.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.25 128.17 20.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.383 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.747 ' HB2' HD11 ' A' ' 27' ' ' LEU . 62.2 tp -108.99 167.89 9.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' N ' ' HG ' ' A' ' 50' ' ' LEU . 6.0 p30 -45.25 91.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.09 28.95 74.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.485 1.116 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 5.1 mtt85 -135.98 159.05 42.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 0.756 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.458 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 56.5 m -157.62 148.77 21.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 160.15 -171.18 36.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.405 1.066 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.605 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 30.3 m95 -109.55 130.56 55.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 35' ' ' ILE . 47.6 p90 -139.8 160.32 61.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.81 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.563 1.823 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.571 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 47.8 t -81.72 -21.98 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -65.61 -39.29 91.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.19 -62.25 1.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.9 m -61.01 -177.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -129.94 134.98 47.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.345 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.695 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -86.16 144.62 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.263 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.496 ' CD1' HD11 ' A' ' 34' ' ' ILE . 5.5 mt -105.48 -58.82 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -44.4 112.57 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 p -80.93 -15.8 55.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 m -85.32 -9.37 57.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.561 1.163 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -98.7 -19.24 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.29 -43.52 12.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -99.34 13.77 32.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -164.0 63.8 0.24 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.54 5.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.95 150.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 t -171.3 150.7 2.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -152.52 -60.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 0.78 . . . . 0.0 109.97 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 p -176.86 155.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.96 -135.74 13.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 56.53 108.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 0.737 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.54 -55.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 153.88 17.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t 61.63 161.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.742 . . . . 0.0 110.053 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.71 141.01 21.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -39.6 134.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -123.83 121.14 34.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.7 mp -91.58 111.6 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.589 HG21 HG11 ' A' ' 62' ' ' VAL . 5.3 m -132.17 131.89 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.695 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -86.76 132.98 33.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -54.58 151.13 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' HD2' ' CA ' ' A' ' 61' ' ' TYR . 2.2 ttt85 -81.7 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' CYS . 38.9 p90 -148.53 -169.57 3.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -56.99 121.19 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HB3' HG23 ' A' ' 29' ' ' VAL . 73.8 t80 -132.07 104.68 6.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptt -77.54 136.69 38.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 10.6 pt20 -83.97 148.0 27.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.2 p -84.71 -23.02 29.53 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.421 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 20.7 m-80 -156.03 173.43 16.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -71.6 -20.42 61.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.81 7.5 20.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -110.82 149.52 30.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -77.3 117.0 18.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.448 ' OG ' ' NH1' ' A' ' 53' ' ' ARG . 1.2 p -97.56 112.24 24.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.044 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.779 HG12 HD22 ' A' ' 50' ' ' LEU . 24.4 m -125.06 137.42 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -102.71 -72.09 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.305 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.57 149.19 13.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.49 59.59 5.82 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.135 . . . . 0.0 111.079 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.458 ' OD2' HD21 ' A' ' 50' ' ' LEU . 1.3 m-20 -138.68 88.85 2.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.695 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -57.29 130.18 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.515 HD11 HG11 ' A' ' 29' ' ' VAL . 1.6 mp -115.29 140.2 37.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.511 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 35.5 m-85 -93.89 110.82 22.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 111.038 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.766 HG12 HG22 ' A' ' 40' ' ' VAL . 14.7 t -81.81 118.59 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.91 -43.49 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 3.5 ttt180 -70.95 -72.91 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.766 HG22 HG12 ' A' ' 37' ' ' VAL . 20.9 t 76.49 78.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.1 mm-40 -103.74 149.9 24.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.61 -1.8 34.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.54 -46.08 94.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 161.47 -32.17 0.35 Allowed Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -100.6 160.26 14.5 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.646 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.83 127.93 33.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 108.038 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 4.5 tt0 -99.61 119.33 37.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.18 -159.7 8.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.528 1.143 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.42 131.85 28.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.417 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.779 HD22 HG12 ' A' ' 29' ' ' VAL . 65.1 tp -110.75 166.79 10.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' H ' HD12 ' A' ' 50' ' ' LEU . 45.9 m-80 -42.7 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 60.29 38.47 94.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH1' ' OG ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -135.7 171.0 15.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.757 . . . . 0.0 110.249 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.697 ' C ' HD22 ' A' ' 27' ' ' LEU . 9.1 t -158.86 163.55 36.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 130.59 -171.25 20.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.549 1.156 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 20.8 m95 -107.74 173.36 6.35 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -175.89 159.28 1.9 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -75.04 127.5 10.71 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.801 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.3 p -89.45 -28.0 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -42.4 -33.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -95.94 -57.99 2.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.456 1.098 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.589 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -43.36 117.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.8 tpt180 -82.39 143.55 31.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.6 tt0 -90.31 152.61 20.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -110.92 -55.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -48.42 129.59 15.99 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 1.078 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -13.49 26.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.94 -9.31 31.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -89.98 -35.79 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -27.26 67.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.238 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.49 13.64 20.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.061 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.4 -89.06 0.28 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.489 1.118 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.11 33.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.05 165.28 24.95 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.569 1.168 . . . . 0.0 109.932 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 t -159.06 -57.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 110.961 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -96.01 -58.17 2.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.81 -58.62 1.73 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.43 -91.26 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.08 157.91 20.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 0.766 . . . . 0.0 110.006 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.99 -58.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.33 -80.96 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -55.99 152.05 10.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 0.764 . . . . 0.0 109.997 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.429 ' NE2' HG21 ' A' ' 40' ' ' VAL . 7.2 p-80 -113.83 173.73 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.626 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 3.2 tt0 -123.14 118.28 27.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.638 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.02 121.7 43.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.223 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.3 mp -91.52 106.56 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.9 m -128.7 142.3 44.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.3 tppt? -98.36 141.25 31.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -68.86 155.59 39.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -82.21 -60.75 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' CYS . 44.9 p90 -148.66 -169.35 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -59.44 109.8 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.704 ' HB3' HG12 ' A' ' 29' ' ' VAL . 50.7 t80 -106.82 134.4 50.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -104.72 127.87 52.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 8.9 pt20 -79.49 143.22 35.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.9 p -71.93 -15.56 62.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 5.7 m120 -175.55 160.48 2.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.4 -16.76 10.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -70.95 -37.22 72.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.088 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -82.03 179.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -94.25 162.72 13.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.406 1.066 . . . . 0.0 109.263 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 t -141.85 126.54 18.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG21 ' HB2' ' A' ' 15' ' ' ALA . 9.8 p -129.06 156.57 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -111.03 -75.43 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.61 153.32 14.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.47 63.75 1.11 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.61 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -139.34 90.08 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 0.812 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -52.45 125.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.485 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -112.01 143.76 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.541 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 37.9 m-85 -99.63 110.57 22.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.682 HG12 HG22 ' A' ' 40' ' ' VAL . 9.9 t -83.05 118.11 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 t -107.21 -45.0 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.1 tpm_? -67.54 -69.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG22 HG12 ' A' ' 37' ' ' VAL . 40.4 t 71.33 76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.61 117.96 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.15 -3.62 27.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.95 -47.24 88.56 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 166.22 -34.97 0.24 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 61.9 m95 -100.45 157.13 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.651 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.82 120.31 21.4 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 2.2 tt0 -95.21 125.1 39.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.541 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -142.5 -158.8 7.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -137.88 127.64 25.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 0.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.99 167.15 10.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.461 ' H ' HD12 ' A' ' 50' ' ' LEU . 41.0 m-80 -46.18 91.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.81 28.42 73.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.437 1.086 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -134.68 166.06 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 0.798 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 27' ' ' LEU . 9.2 m -158.27 170.88 21.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 110.422 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.631 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 130.85 -159.11 22.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.602 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 21.3 m95 -118.45 141.85 48.15 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.599 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 3.1 p90 -144.37 161.45 44.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 111.001 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.03 112.6 3.6 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.457 1.767 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 62' ' ' VAL . 65.8 p -75.56 -37.05 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -38.31 54.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -72.9 -59.5 2.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 59' ' ' SER . 5.1 m -63.31 149.36 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 14' ' ' LYS . 62.5 ttt180 -94.47 146.79 23.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' HA ' HG12 ' A' ' 13' ' ' VAL . 22.8 tt0 -95.59 149.03 21.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.0 mm -106.49 -64.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -42.03 115.93 0.74 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 90.5 p -87.02 -8.72 56.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.4 p -94.0 -9.32 37.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -97.81 -35.59 10.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -34.02 74.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.6 m -111.37 13.96 21.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.3 -96.22 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 136.04 19.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.09 132.46 2.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.23 127.06 49.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.036 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.0 110.975 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -118.91 -58.27 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 110.01 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -113.05 136.88 52.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.17 136.07 8.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -177.2 83.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 0.729 . . . . 0.0 110.049 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -120.18 119.9 34.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.027 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.32 -103.33 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.412 ' HB3' ' CD2' ' A' ' 9' ' ' HIS . 0.2 OUTLIER -158.3 -53.72 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 0.795 . . . . 0.0 109.978 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.412 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 3.7 p80 -167.52 173.21 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -69.72 147.42 50.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.7 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.25 118.14 35.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.474 HG23 HG12 ' A' ' 34' ' ' ILE . 2.7 mp -89.93 111.22 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.845 HG12 ' HA ' ' A' ' 64' ' ' GLU . 28.8 m -136.19 130.11 47.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.654 ' HD3' HD12 ' A' ' 34' ' ' ILE . 4.2 tppt? -81.9 140.73 33.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -59.73 -178.18 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -123.23 -48.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.22 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 24.0 p90 -147.67 -170.67 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 111.062 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.539 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 10.9 m-20 -77.11 106.47 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.532 ' HB3' HG12 ' A' ' 29' ' ' VAL . 26.3 t80 -94.05 148.53 22.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 111.065 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -122.02 115.46 22.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 23' ' ' ASN . 9.6 pt20 -68.48 143.96 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.8 p -76.91 -14.17 59.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.436 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 37.8 m-20 -172.01 172.66 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -72.47 -8.49 55.37 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 1.11 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.74 -30.15 40.78 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 1.9 tt0 -86.98 -170.44 3.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 54' ' ' THR . 0.6 OUTLIER -109.57 160.61 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' N ' HD23 ' A' ' 27' ' ' LEU . 48.4 t -136.58 144.46 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 15' ' ' ALA . 11.9 p -147.01 149.72 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.52 -78.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 108.257 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 152.66 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 42.04 59.07 3.04 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.564 ' HB3' HD11 ' A' ' 50' ' ' LEU . 3.2 m-20 -136.79 86.85 2.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.73 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.654 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -55.14 133.11 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.68 140.98 32.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.535 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 30.7 m-85 -95.65 110.27 22.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.816 HG12 HG22 ' A' ' 40' ' ' VAL . 12.4 t -82.29 125.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.62 -49.32 3.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 8.5 ttm180 -71.43 -68.26 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.816 HG22 HG12 ' A' ' 37' ' ' VAL . 14.8 t 76.0 74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 8.0 mt-10 -105.43 120.77 42.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.154 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.52 1.15 20.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.392 1.057 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.47 -49.89 58.94 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 0.0 111.047 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 175.52 -44.39 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.552 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 45.3 m95 -100.44 173.77 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.791 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -139.57 133.17 30.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.967 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.0 tt0 -102.58 110.9 22.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.535 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.0 -158.29 8.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 0.0 111.048 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -141.93 136.24 30.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 0.793 . . . . 0.0 110.424 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 33' ' ' ASP . 59.7 tp -112.9 168.33 9.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.423 ' H ' HD12 ' A' ' 50' ' ' LEU . 46.5 m-80 -45.3 93.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.9 32.22 80.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 3.1 mtt85 -137.22 167.02 22.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.647 ' C ' HD12 ' A' ' 27' ' ' LEU . 14.6 t -159.85 168.57 25.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.618 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 126.25 -163.56 20.14 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.061 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 40.3 m95 -103.67 158.45 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' A' ' 62' ' ' VAL . 12.0 p90 -162.73 162.93 18.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.09 121.83 6.79 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.502 1.79 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 62' ' ' VAL . 13.4 p -90.54 -53.98 4.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -41.3 -38.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.163 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 44.5 m-85 -67.67 -59.15 3.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' A' ' 59' ' ' SER . 10.8 m -67.86 149.9 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -91.3 154.58 19.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.845 ' HA ' HG12 ' A' ' 13' ' ' VAL . 23.5 tt0 -97.92 149.77 22.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -108.44 -55.54 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -49.91 121.64 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.2 m -88.9 -17.22 30.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.387 1.055 . . . . 0.0 109.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.8 m -87.2 -9.24 55.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -95.99 -40.58 9.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.5 ' CG ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -54.44 -47.2 73.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -89.8 13.12 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -146.48 65.62 0.42 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.07 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.7 t -178.86 -58.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 p -139.53 167.91 21.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -168.85 161.15 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.49 114.69 3.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.424 1.077 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -63.86 148.4 49.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 0.789 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.58 80.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.54 -72.01 0.02 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.399 1.062 . . . . 0.0 110.955 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.6 t -105.96 157.02 17.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.035 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -71.0 148.32 47.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.548 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -126.77 138.09 53.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -120.88 121.31 37.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.14 108.44 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 ' O ' HD13 ' A' ' 34' ' ' ILE . 26.9 m -127.61 149.23 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.0 tppt? -108.65 145.97 34.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.37 157.59 37.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -85.08 -61.8 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.8 p90 -148.62 -170.03 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.403 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 8.3 m-80 -55.58 98.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.705 ' HB3' HG23 ' A' ' 29' ' ' VAL . 19.1 t80 -109.23 114.12 27.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 146.01 24.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.14 141.88 29.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 p -70.73 -21.47 62.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.389 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -167.3 158.83 12.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -26.91 61.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -46.47 88.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.91 178.87 5.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.4 OUTLIER -93.02 164.64 13.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.462 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -138.26 135.7 35.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.013 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.734 HG11 HD11 ' A' ' 35' ' ' ILE . 0.7 OUTLIER -140.1 161.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.235 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' PHE . 38.3 t -115.99 -76.94 0.57 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -174.68 132.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 59.57 52.68 51.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.855 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.6 OUTLIER -114.77 -31.67 6.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 109.347 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.68 122.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.734 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mp -117.7 149.32 20.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.583 1.177 . . . . 0.0 109.205 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 49' ' ' THR . 40.9 m-85 -109.2 111.2 22.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG12 HG22 ' A' ' 40' ' ' VAL . 4.9 t -81.86 122.8 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.55 -46.72 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' CD ' ' CH2' ' A' ' 56' ' ' TRP . 35.1 ttm-85 -69.37 -70.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.873 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 24.3 t 71.99 77.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' ' CD ' ' A' ' 39' ' ' ARG . 7.9 mm-40 -110.69 162.43 14.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' GLY . 12.8 pt-20 -103.59 -16.05 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -36.31 -52.59 1.31 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 165.83 -33.93 0.24 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -105.54 161.39 14.39 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.873 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -127.8 128.4 45.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 108.037 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 15.4 tt0 -98.25 122.28 41.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.69 -159.04 7.77 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.537 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -141.07 136.39 31.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 0.734 . . . . 0.0 110.52 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.855 HD11 ' HB3' ' A' ' 33' ' ' ASP . 61.6 tp -116.82 167.02 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.519 ' H ' HD12 ' A' ' 50' ' ' LEU . 51.4 m-80 -44.44 94.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.01 31.69 81.56 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.134 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -134.25 168.54 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.341 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.434 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.95 170.33 21.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.593 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.97 -163.28 22.37 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.563 1.164 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 39' ' ' ARG . 18.9 m95 -112.37 170.99 7.78 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 51.4 p90 -175.48 161.12 2.17 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.94 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.474 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.511 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 87.9 p -73.62 -23.81 59.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.07 -35.64 81.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.4 m-85 -71.72 -62.96 1.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -61.07 145.26 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.098 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -84.13 162.3 20.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.6 OUTLIER -109.44 138.15 46.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 27.4 mm -102.22 -49.0 10.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.98 121.85 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.3 m -91.65 -13.65 31.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.092 . . . . 0.0 109.923 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -95.28 -9.32 33.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -98.45 -39.84 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.361 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -56.28 -51.1 69.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.89 12.25 22.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -156.63 78.47 0.19 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 55.96 4.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.42 122.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.6 t -146.11 141.79 27.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.966 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 110.971 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -157.11 126.64 6.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.727 . . . . 0.0 110.049 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -128.3 140.27 51.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.13 91.12 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.545 1.153 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.89 147.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 0.737 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.65 167.15 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.65 149.06 5.71 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.66 139.87 45.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 110.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.471 ' CE1' ' O ' ' A' ' 38' ' ' THR . 8.8 p-80 -60.05 165.1 3.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CG ' ' HB3' ' A' ' 36' ' ' TYR . 0.0 OUTLIER -173.63 138.83 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.3 121.8 44.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -93.78 112.64 27.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 64' ' ' GLU . 21.5 m -135.45 137.9 49.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CE ' HG12 ' A' ' 34' ' ' ILE . 5.5 tppt? -94.25 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.46 146.53 54.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -72.75 -67.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.3 p90 -147.62 -170.83 3.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -55.22 112.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 19.8 t80 -126.79 96.14 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -64.6 132.95 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.7 pt20 -77.7 142.1 38.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.114 . . . . 0.0 110.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.0 p -75.37 -12.12 60.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 25.9 m120 -157.52 150.92 23.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -8.58 31.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.249 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.77 -30.99 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 3.1 tt0 -71.7 175.96 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 54' ' ' THR . 0.1 OUTLIER -83.86 125.98 32.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.9 108.3 18.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 HD11 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -118.49 148.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.354 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' PHE . 3.0 t -111.48 -68.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 108.285 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.78 144.7 4.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 50.89 64.16 3.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 42.6 m-20 -143.68 94.66 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.598 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.91 139.15 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.741 HD11 HG11 ' A' ' 29' ' ' VAL . 2.5 mt -125.61 149.42 30.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.515 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 33.8 m-85 -107.79 110.71 22.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.771 HG12 HG22 ' A' ' 40' ' ' VAL . 15.4 t -80.2 120.52 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 0.6 OUTLIER -106.55 -44.68 4.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 5.2 ttm180 -70.96 -73.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.771 HG22 HG12 ' A' ' 37' ' ' VAL . 17.2 t 77.9 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 1.5 mm-40 -100.26 148.54 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -100.26 -1.56 36.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 -45.17 97.13 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.98 -31.11 0.4 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -100.96 157.8 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.619 ' CH2' HD13 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -132.21 132.89 43.55 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.7 tt0 -106.83 115.85 30.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.317 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -134.07 -153.72 7.07 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 0.9 OUTLIER -143.46 132.46 22.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 33' ' ' ASP . 60.8 tp -109.94 166.82 10.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.521 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -45.07 92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 65.57 33.88 87.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.93 169.06 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.681 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -159.55 165.33 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.433 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' CG2' ' A' ' 54' ' ' THR . . . 133.84 -160.05 23.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.53 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 27.7 m95 -112.51 175.19 5.54 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.48 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 16.8 p90 178.99 160.43 0.7 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.579 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.6 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.78 . . . . 0.0 111.033 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.588 ' CB ' ' CE3' ' A' ' 46' ' ' TRP . 86.2 p -72.85 -32.29 65.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.47 -35.96 77.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.56 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 4.9 m-85 -70.56 -59.5 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.579 HG13 ' O ' ' A' ' 58' ' ' PRO . 2.3 m -53.08 -179.98 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -118.71 145.36 45.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.536 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -92.47 138.52 31.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.598 HG13 HD11 ' A' ' 34' ' ' ILE . 24.2 mm -105.14 -34.18 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -86.54 119.44 26.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -82.63 -25.69 32.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -11.23 60.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.0 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' CG ' ' HG ' ' A' ' 11' ' ' LEU . 23.7 mm-40 -99.85 -50.13 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.424 ' N ' ' OE2' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -57.88 -36.31 72.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.275 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 t -108.17 13.71 25.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.564 1.165 . . . . 0.0 110.023 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.25 -102.55 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.5 m -148.53 99.09 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.952 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -118.99 134.05 55.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.076 0 O-C-N 124.464 1.103 . . . . 0.0 110.979 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -106.12 -58.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.38 -58.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.049 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.55 -146.2 8.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 p -145.9 -59.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 109.988 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.82 78.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.14 94.21 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.11 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.8 p -143.52 -55.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 178.6 -66.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 66.85 136.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -122.37 124.65 44.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.362 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG23 ' CG2' ' A' ' 34' ' ' ILE . 2.6 mp -94.84 111.92 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.624 HG12 ' HA ' ' A' ' 64' ' ' GLU . 11.6 m -130.44 133.57 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.717 ' HD3' HD12 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -90.19 130.42 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -50.33 159.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 0.9 OUTLIER -89.62 -63.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -149.75 -175.49 5.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -53.5 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.234 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 58.7 t80 -105.46 144.3 32.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -112.77 133.09 54.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.91 144.0 37.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.1 p -76.39 -20.98 56.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.0 167.32 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -75.34 -6.11 48.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 110.35 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -95.11 -30.25 14.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -70.33 168.58 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.4 146.83 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.249 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.31 112.0 12.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.015 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.047 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -121.01 149.38 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.34 -69.97 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.334 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.44 132.54 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.87 51.11 54.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.646 ' HB3' HD11 ' A' ' 50' ' ' LEU . 12.6 m-20 -133.03 88.27 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.717 HD12 ' HD3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -55.91 135.47 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.047 HD11 HG11 ' A' ' 29' ' ' VAL . 1.9 mt -119.26 138.1 51.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.521 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 31.6 m-85 -90.96 111.01 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 40' ' ' VAL . 5.0 t -82.06 120.71 34.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.6 -44.1 4.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.479 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 3.5 tpt180 -72.82 -73.62 0.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.782 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 18.0 t 77.32 77.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.0 mm-40 -102.54 151.25 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -100.21 -2.5 33.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.415 1.072 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.84 -45.63 95.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.3 -30.97 0.43 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.519 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 52.1 m95 -101.38 154.86 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.782 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -130.68 129.25 42.37 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 12.6 tt0 -100.45 113.12 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.39 -152.82 7.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -148.95 134.08 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 110.462 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.646 HD11 ' HB3' ' A' ' 33' ' ' ASP . 62.1 tp -112.36 168.59 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' H ' HD12 ' A' ' 50' ' ' LEU . 40.4 m-80 -46.74 92.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 70.93 28.02 71.27 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.467 1.104 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.536 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.56 157.45 46.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.495 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 96.9 m -158.11 145.44 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.81 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.23 -158.14 28.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.541 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.7 m95 -108.62 168.56 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -174.18 161.03 2.89 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.3 Cg_endo -74.98 125.05 9.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' ASN . 87.4 p -91.61 -31.37 15.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' SER . 63.0 m-20 -39.62 -35.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -96.28 -56.22 2.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG11 HG21 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -44.05 117.92 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.569 1.168 . . . . 0.0 109.256 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -82.82 140.68 32.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.236 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.624 ' HA ' HG12 ' A' ' 13' ' ' VAL . 24.2 tt0 -89.19 147.13 24.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.0 mm -106.32 -56.1 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -49.76 119.95 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -89.33 -17.19 29.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.51 -9.26 56.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -95.62 -23.66 16.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -35.99 82.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 t -105.73 13.35 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.31 -98.06 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.477 1.11 . . . . 0.0 111.064 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.07 5.14 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.443 1.759 . . . . 0.0 111.005 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.7 p -44.04 109.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 109.944 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.99 -62.42 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -164.78 128.7 2.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.995 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 p -80.43 156.85 26.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.04 -179.87 38.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -160.73 168.25 25.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.65 167.76 25.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.96 -159.42 27.96 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.0 m -155.25 122.74 5.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 0.739 . . . . 0.0 109.958 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 66.24 125.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.564 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -87.41 148.95 24.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.271 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -112.34 117.62 32.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 HG22 ' HB ' ' A' ' 65' ' ' ILE . 1.8 mp -84.01 107.84 15.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' HA ' ' A' ' 64' ' ' GLU . 34.4 m -126.89 144.5 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.506 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.1 tppt? -107.69 141.61 38.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.64 170.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -109.0 -58.37 2.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 4.1 p90 -146.07 167.46 23.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -49.5 93.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.2 t80 -97.53 145.92 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 111.082 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.83 129.1 55.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 6.1 pt20 -72.26 142.09 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -74.99 -19.71 59.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.435 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -151.75 164.44 36.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.84 -9.51 58.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.27 -14.22 24.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -87.17 166.37 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.347 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.866 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -77.81 124.42 27.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.71 104.06 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.005 HG11 HD11 ' A' ' 35' ' ' ILE . 0.2 OUTLIER -107.63 168.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.8 m -130.71 -64.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -175.37 140.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.492 ' HA2' ' CE ' ' A' ' 14' ' ' LYS . . . 44.44 60.37 3.71 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.535 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -115.25 -36.18 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.625 HD13 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER 72.22 117.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.005 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -118.02 136.6 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 49' ' ' THR . 47.3 m-85 -98.33 111.29 23.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG12 HG22 ' A' ' 40' ' ' VAL . 9.1 t -77.73 122.44 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.73 -44.39 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.44 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.8 ttm180 -73.37 -73.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 16.3 t 79.52 77.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.8 mm-40 -103.76 151.07 23.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.42 -4.4 29.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -54.06 -47.94 64.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 163.53 -33.86 0.29 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.548 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 58.5 m95 -100.88 164.22 11.93 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.768 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -136.01 133.28 37.3 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CD2' ' A' ' 56' ' ' TRP . 10.7 tt0 -105.68 115.97 31.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -131.57 -152.24 7.15 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.27 134.03 20.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.438 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.687 ' HB2' HD11 ' A' ' 27' ' ' LEU . 60.2 tp -112.98 167.83 10.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.483 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.6 m-80 -45.94 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 67.64 31.14 75.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.465 1.103 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HD2' HD23 ' A' ' 50' ' ' LEU . 1.3 mtt85 -138.28 159.48 41.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.505 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 92.4 m -157.65 146.93 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.866 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 155.57 -162.29 31.05 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 47' ' ' GLU . 38.0 m95 -107.96 163.37 13.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -170.78 161.85 5.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.91 114.29 3.99 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.61 1.847 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.9 p -79.1 -15.71 57.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -73.01 -35.41 66.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 5.9 m-85 -70.43 -63.28 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 m -60.14 -177.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -129.83 151.28 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.659 ' HA ' HG12 ' A' ' 13' ' ' VAL . 26.5 tt0 -93.42 154.2 18.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' HG22 ' A' ' 12' ' ' ILE . 11.9 mm -110.38 -61.51 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.29 131.26 8.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 m -93.66 -12.65 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.18 -9.32 36.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.958 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -88.08 -39.04 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.366 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 71' ' ' SER . 0.2 OUTLIER -65.07 -29.26 70.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.334 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -82.29 4.58 23.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.037 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.61 138.32 9.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 85.84 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.552 1.817 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.8 t -154.27 133.23 12.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.84 -57.63 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.93 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.78 -59.06 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.774 . . . . 0.0 109.934 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 73.28 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.75 155.21 6.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -151.82 98.12 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.62 0.835 . . . . 0.0 110.027 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -89.15 110.43 21.17 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.581 1.176 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 123.25 0.22 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.453 1.096 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.93 -65.11 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.779 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 63.6 m170 64.26 133.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.636 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.67 117.07 9.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -113.04 122.02 46.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 34' ' ' ILE . 2.8 mp -90.49 111.39 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 ' HA ' ' A' ' 64' ' ' GLU . 32.1 m -135.89 139.01 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' CE ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -99.35 141.42 32.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.01 177.59 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -112.05 -53.64 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -147.52 175.03 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 3.5 m120 -57.39 95.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.31 154.81 17.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.84 132.31 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 5.4 pt20 -80.99 140.78 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.5 t -72.8 -17.37 61.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.402 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 19.4 m120 -164.36 153.73 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.358 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -57.88 -16.3 11.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.437 1.085 . . . . 0.0 110.273 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.97 -33.92 51.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.591 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -76.99 171.15 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -78.7 138.15 38.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 p -119.81 91.19 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 35' ' ' ILE . 23.1 m -105.68 144.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 55.8 m -111.63 -79.95 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 136.65 16.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.4 62.3 6.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.475 1.11 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.785 ' HB3' HD11 ' A' ' 50' ' ' LEU . 22.6 m-20 -138.91 90.58 2.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 0.782 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.612 HD11 HG13 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -56.37 129.67 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.704 HD11 HG11 ' A' ' 29' ' ' VAL . 1.8 mt -118.74 140.18 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 49' ' ' THR . 34.2 m-85 -99.14 111.42 23.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 40' ' ' VAL . 12.3 t -80.78 121.3 34.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.09 -43.4 4.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.397 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.2 ttm180 -73.22 -73.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.743 HG22 HG12 ' A' ' 37' ' ' VAL . 16.4 t 78.52 77.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 4.2 mm-40 -103.19 150.04 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.45 -3.33 31.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.11 94.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.5 -31.44 0.43 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 55.3 m95 -101.12 158.2 16.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.706 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -133.22 130.43 39.04 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 9.4 tt0 -103.41 117.36 34.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.512 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -136.59 -155.55 7.11 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.95 130.98 21.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 110.386 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 33' ' ' ASP . 65.2 tp -106.63 168.11 9.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' H ' HD12 ' A' ' 50' ' ' LEU . 5.9 p30 -44.95 92.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.83 32.42 81.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -137.16 167.01 22.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 0.728 . . . . 0.0 110.274 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.519 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 13.4 m -159.63 151.46 20.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.702 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 146.99 -171.67 27.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 35.2 m95 -99.51 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 30.4 p90 -169.05 161.72 7.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.512 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.9 112.34 3.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.556 ' HA ' HG22 ' A' ' 62' ' ' VAL . 10.3 p -81.46 -34.65 31.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -51.8 -41.43 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 26.6 m-85 -68.98 -61.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.3 m -57.26 160.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 152.95 26.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.729 ' HA ' HG12 ' A' ' 13' ' ' VAL . 31.3 tt0 -90.04 150.48 22.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.418 1.074 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.612 HG13 HD11 ' A' ' 34' ' ' ILE . 13.3 mm -110.77 -37.9 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' O ' ' CD ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -90.46 102.94 15.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.2 p -71.5 -20.35 62.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.019 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.41 -9.58 58.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 0.2 OUTLIER -86.13 -52.56 5.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 71' ' ' SER . 2.3 ptt180 -56.25 -27.01 53.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -95.99 9.12 41.77 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 110.078 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -152.57 67.45 0.32 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.463 1.102 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -38.79 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -133.12 137.79 46.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.5 p -50.49 124.0 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.99 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -145.23 132.92 20.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.28 165.17 12.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.94 73.46 0.35 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.1 p -146.78 110.9 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -131.65 -59.53 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.035 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.33 -90.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.95 159.64 29.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.971 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 10' ' ' GLN . 6.8 t60 61.05 147.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.602 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' N ' ' CD2' ' A' ' 9' ' ' HIS . 0.7 OUTLIER -164.81 122.42 1.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.63 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -117.89 118.85 33.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 34' ' ' ILE . 2.4 mp -87.98 103.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' C ' HD13 ' A' ' 34' ' ' ILE . 33.4 m -123.1 139.44 49.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 63' ' ' ARG . 1.3 tppt? -101.2 144.88 29.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.15 161.91 29.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.237 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.33 -62.4 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 17' ' ' PHE . 6.0 p90 -149.78 176.13 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -42.55 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . 79.9 t80 -102.62 142.42 33.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -111.63 139.57 46.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.46 ' CG ' ' OG ' ' A' ' 28' ' ' SER . 7.2 pt20 -88.52 144.94 26.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.7 p -73.24 -18.82 61.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 10.2 m120 -153.94 155.2 35.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' O ' ' NH2' ' A' ' 53' ' ' ARG . 1.1 pm0 -67.29 -9.88 45.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -85.34 -33.3 22.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.601 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.3 OUTLIER -71.44 -177.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.08 129.11 38.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.381 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' OG ' ' CG ' ' A' ' 21' ' ' GLN . 0.5 OUTLIER -115.16 104.6 12.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.945 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.15 149.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.6 m -108.88 -86.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 108.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.71 129.46 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.19 60.58 6.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.632 ' HB3' HD11 ' A' ' 50' ' ' LEU . 44.5 m-20 -137.45 89.96 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 0.74 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -56.26 131.63 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.945 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -119.24 138.29 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 36.0 m-85 -94.93 110.41 22.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.774 HG12 HG22 ' A' ' 40' ' ' VAL . 13.8 t -81.61 122.31 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.43 -44.57 4.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.0 ttm180 -71.95 -73.28 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.857 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 15.7 t 77.56 77.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.511 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.9 mm-40 -103.57 150.16 24.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -100.4 1.04 40.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.32 -45.54 95.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.595 1.184 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 160.6 -32.52 0.39 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.601 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.3 m95 -100.91 156.51 17.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.857 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.89 127.5 34.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 108.04 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 14.5 tt0 -98.5 118.09 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -135.43 -160.02 8.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -139.71 127.17 21.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 110.385 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.632 HD11 ' HB3' ' A' ' 33' ' ' ASP . 66.4 tp -110.78 168.15 9.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 1.087 . . . . 0.0 109.339 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.451 ' H ' HD12 ' A' ' 50' ' ' LEU . 5.6 p30 -45.11 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 59.69 39.46 95.25 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.541 1.151 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' NH2' ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -152.29 119.26 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.311 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.513 ' C ' ' CD2' ' A' ' 27' ' ' LEU . 18.9 m -116.72 154.05 31.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.419 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.88 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 153.08 -176.43 31.18 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 38.2 m95 -96.8 168.77 10.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -178.54 160.84 1.13 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.99 124.65 8.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.714 ' HA ' HG22 ' A' ' 62' ' ' VAL . 12.9 p -88.21 -38.77 15.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -50.14 -32.97 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.382 1.051 . . . . 0.0 109.213 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 18.0 m-85 -77.64 -54.16 6.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.714 HG22 ' HA ' ' A' ' 59' ' ' SER . 2.7 m -67.82 149.16 11.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -85.34 158.73 20.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' CD ' HD21 ' A' ' 11' ' ' LEU . 0.6 OUTLIER -109.91 137.87 47.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' N ' ' HG3' ' A' ' 64' ' ' GLU . 38.7 mm -100.26 -58.78 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.31 121.89 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.4 t -92.3 -12.6 32.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.7 -9.25 35.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.042 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -96.49 -36.92 10.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 110.33 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.99 -46.56 87.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.67 12.16 26.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -89.22 -117.02 1.54 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.49 42.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.496 1.788 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t 60.26 114.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.066 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.6 103.04 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.443 1.09 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.9 79.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.949 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.52 82.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 109.968 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.86 69.98 0.28 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p 39.79 84.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 0.757 . . . . 0.0 110.015 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -75.56 165.78 24.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.9 -87.23 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.4 p -147.64 113.77 5.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.995 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -124.64 -42.51 2.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -79.37 137.98 37.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.6 OUTLIER -105.28 122.71 46.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.421 1.075 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.54 HG23 HD12 ' A' ' 34' ' ' ILE . 2.5 mp -89.09 110.03 20.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.418 1.074 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' ' 64' ' ' GLU . 35.9 m -133.44 135.06 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.5 tppt? -94.72 140.77 29.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 62' ' ' VAL . . . -65.95 162.47 19.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 63' ' ' ARG . 1.3 ttm180 -90.03 -59.07 2.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' CYS . 37.0 p90 -148.71 -169.45 3.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.999 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -56.31 119.44 5.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' HB3' HG23 ' A' ' 29' ' ' VAL . 21.6 t80 -125.6 121.11 32.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.51 139.7 32.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -84.85 148.06 26.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -77.87 -20.58 52.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -165.38 172.59 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -13.49 62.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -27.07 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.539 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 2.9 tt0 -92.31 163.8 13.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -82.1 167.01 19.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.51 ' H ' HD23 ' A' ' 27' ' ' LEU . 1.4 t -144.46 134.33 23.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 50' ' ' LEU . 6.9 m -141.71 146.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -104.16 -77.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 108.333 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.73 147.09 21.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.65 62.68 3.91 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.505 ' OD2' HD11 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -137.22 88.64 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 0.744 . . . . 0.0 109.247 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.54 HD12 HG23 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -53.46 129.94 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.502 HG13 HD13 ' A' ' 50' ' ' LEU . 2.1 mp -115.32 150.15 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 49' ' ' THR . 28.2 m-85 -108.69 111.09 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 40' ' ' VAL . 14.2 t -82.34 120.42 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.23 -44.73 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 4.1 ttm180 -70.07 -74.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG22 HG12 ' A' ' 37' ' ' VAL . 18.9 t 78.22 77.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.46 ' CG ' ' HG2' ' A' ' 39' ' ' ARG . 2.7 mm-40 -103.97 149.89 24.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -100.4 -0.65 37.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.55 -46.59 93.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.39 -31.92 0.31 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.607 0.828 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.539 ' CZ3' ' CD ' ' A' ' 26' ' ' GLU . 67.4 m95 -100.97 161.84 13.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.708 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -136.12 123.39 21.84 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.529 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 8.2 tt0 -96.0 122.17 38.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.32 -156.1 6.7 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -143.83 133.68 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.371 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 29' ' ' VAL . 63.0 tp -111.4 167.6 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.488 ' H ' HD12 ' A' ' 50' ' ' LEU . 57.2 m-80 -46.03 92.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 66.4 30.31 76.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.143 . . . . 0.0 111.05 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 0.3 OUTLIER -135.95 168.53 19.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 0.746 . . . . 0.0 110.272 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.435 ' C ' HD12 ' A' ' 27' ' ' LEU . 5.1 t -159.91 170.52 21.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.402 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.597 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 128.93 -172.93 19.49 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.025 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 33.0 m95 -101.51 156.47 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 38.3 p90 -163.18 161.78 18.15 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 127.67 10.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 46' ' ' TRP . 88.4 p -85.65 -35.01 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -60.56 -39.1 86.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 9.1 m-85 -63.93 -58.65 6.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.392 1.057 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 15' ' ' ALA . 11.9 m -67.32 161.46 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HG3' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -98.76 155.37 17.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -100.26 138.28 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 44.5 mm -102.61 -36.05 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -82.42 108.71 16.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.8 p -76.64 -21.64 55.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.02 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.8 t -73.92 -9.71 58.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.495 ' CG ' ' HG2' ' A' ' 66' ' ' LYS . 4.2 mm-40 -99.62 -53.92 3.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' CG ' ' N ' ' A' ' 71' ' ' SER . 29.4 ptt85 -56.35 -39.8 73.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.463 ' N ' ' CG ' ' A' ' 70' ' ' ARG . 5.0 t -70.56 -6.03 33.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 130.63 126.32 2.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' SER . 18.3 Cg_endo -74.97 148.81 35.92 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.5 t 70.28 -60.29 0.49 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.019 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -47.86 -55.72 9.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.49 118.02 27.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 0.735 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.34 89.31 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.92 -150.32 7.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.21 150.11 26.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.042 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.15 135.75 53.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.08 74.23 0.81 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.9 p -176.62 152.44 1.02 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 0.791 . . . . 0.0 109.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -113.87 135.19 54.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -82.48 130.41 35.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.6 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -103.95 121.92 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.256 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG23 HD12 ' A' ' 34' ' ' ILE . 2.3 mp -91.54 104.4 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.557 ' C ' HD13 ' A' ' 34' ' ' ILE . 22.5 m -123.72 141.77 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 7.7 tppt? -97.64 149.86 21.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.805 ' HB2' HG21 ' A' ' 29' ' ' VAL . . . -70.31 150.03 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.6 -45.55 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 18' ' ' ASN . 14.3 p90 -148.61 179.25 7.96 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.445 1.09 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.533 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 39.4 m-20 -69.1 107.74 3.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.675 ' HB3' HG12 ' A' ' 29' ' ' VAL . 51.5 t80 -96.64 149.69 21.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.92 124.22 48.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.81 147.71 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.061 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 p -90.53 -21.95 21.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -153.46 174.97 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -22.44 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -83.3 2.23 37.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -103.41 147.23 27.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -77.07 117.07 18.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.576 1.172 . . . . 0.0 109.328 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.31 102.78 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.845 HG21 HD11 ' A' ' 35' ' ' ILE . 5.4 p -108.11 155.15 9.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.8 m -120.09 -93.24 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.25 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -144.91 143.78 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 47.74 64.22 3.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.585 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -141.59 93.53 2.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD13 ' C ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -55.83 128.83 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.845 HD11 HG21 ' A' ' 29' ' ' VAL . 2.1 mt -116.59 139.58 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.527 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 45.2 m-85 -95.68 111.4 23.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.677 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.2 t -83.59 119.87 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.25 -44.54 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.383 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 47' ' ' GLU . 1.2 tpm_? -69.02 -71.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.081 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.82 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 35.3 t 72.83 79.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mm-40 -103.17 151.06 23.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -100.35 -4.14 29.74 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 1.088 . . . . 0.0 110.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.51 -45.16 96.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 159.09 -30.5 0.43 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -100.76 154.36 18.69 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.82 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -130.69 131.11 44.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 107.974 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 3.8 tt0 -104.66 123.71 48.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.527 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -138.8 -151.93 5.84 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.56 1.162 . . . . 0.0 111.053 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -147.41 129.25 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 110.404 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.637 ' HB2' HD11 ' A' ' 27' ' ' LEU . 64.6 tp -109.92 167.78 9.91 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.478 1.112 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' H ' HD12 ' A' ' 50' ' ' LEU . 49.9 m-80 -46.39 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.45 30.11 71.36 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.615 ' HD2' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -139.45 158.59 43.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 0.712 . . . . 0.0 110.283 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.464 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 48.4 m -159.25 151.34 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.589 ' N ' HD23 ' A' ' 27' ' ' LEU . . . 151.97 -146.54 15.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 47' ' ' GLU . 15.7 m95 -125.15 158.05 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -161.11 162.47 22.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 18.2 Cg_endo -75.08 116.7 4.65 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.566 1.824 . . . . 0.0 110.941 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' TYR . 1.6 t -86.19 -36.71 19.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' SER . 0.8 OUTLIER -39.98 -29.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 59' ' ' SER . 28.8 m-85 -96.84 -53.01 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 15' ' ' ALA . 0.7 OUTLIER -45.11 148.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 0.0 109.327 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -99.69 145.04 28.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 110.264 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -100.9 137.5 39.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.298 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.5 HG13 HD11 ' A' ' 34' ' ' ILE . 24.3 mm -103.46 -59.63 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.67 127.34 6.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.2 p -94.14 -17.18 23.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 m -96.18 -9.38 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.553 ' CB ' HD21 ' A' ' 11' ' ' LEU . 1.1 pp20? -46.09 -35.82 5.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -38.03 74.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' SER . 83.4 p -101.53 13.39 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.063 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.06 -102.79 0.41 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p -152.07 128.36 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.067 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.67 99.12 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.82 96.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 110.022 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -156.65 132.4 9.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.89 -86.84 0.38 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.73 168.31 27.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 0.809 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -144.65 -59.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.966 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.7 -173.56 21.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.974 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -136.28 121.6 19.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 0.751 . . . . 0.0 109.974 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.88 21.94 0.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -56.89 116.18 3.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -106.04 120.89 42.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.17 109.45 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.579 ' C ' HD13 ' A' ' 34' ' ' ILE . 21.3 m -132.85 141.47 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 34' ' ' ILE . 6.4 tppt? -97.96 139.52 33.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -55.58 164.35 1.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -97.25 -60.01 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 110.21 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.577 ' CE2' ' O ' ' A' ' 18' ' ' ASN . 15.3 p90 -148.63 -175.55 4.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.577 ' O ' ' CE2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -56.94 105.48 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -115.24 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.1 141.79 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.78 143.73 30.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.8 p -75.88 -16.74 60.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.544 1.152 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -171.99 162.72 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -62.62 -12.78 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -36.54 60.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' OE2' ' CZ3' ' A' ' 45' ' ' TRP . 0.2 OUTLIER -86.58 174.44 8.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.367 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD23 ' H ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -88.81 171.41 9.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.775 ' H ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -150.85 129.38 12.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.963 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.987 HG12 HD22 ' A' ' 50' ' ' LEU . 16.1 m -136.52 158.35 37.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.2 m -115.78 -83.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.244 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.39 138.29 15.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.226 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.65 62.85 5.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.628 ' CG ' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -143.34 92.82 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.67 HD11 HG13 ' A' ' 65' ' ' ILE . 0.5 OUTLIER -56.48 132.54 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.413 1.071 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG13 HD13 ' A' ' 50' ' ' LEU . 1.5 mp -121.23 140.08 46.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 109.229 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.531 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 38.3 m-85 -97.24 110.85 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG12 HG22 ' A' ' 40' ' ' VAL . 10.5 t -83.18 118.96 31.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -107.05 -45.19 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 0.0 110.419 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.601 ' HG2' ' CH2' ' A' ' 56' ' ' TRP . 6.5 tpm_? -66.8 -69.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 110.192 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 37' ' ' VAL . 42.4 t 70.93 77.46 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.563 1.164 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -106.85 126.79 52.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.58 1.36 30.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.34 -46.56 94.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.06 -35.37 0.29 Allowed Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.605 ' CZ3' ' OE2' ' A' ' 26' ' ' GLU . 51.5 m95 -100.58 157.84 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.642 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -132.21 128.78 38.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.027 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 2.7 tt0 -103.04 121.73 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.531 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -141.09 -161.5 8.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.454 1.096 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -136.66 125.85 24.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 110.383 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.987 HD22 HG12 ' A' ' 29' ' ' VAL . 62.1 tp -103.41 167.67 9.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.499 ' H ' HD12 ' A' ' 50' ' ' LEU . 54.2 m-80 -46.68 91.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 69.37 26.73 74.3 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' CB ' ' HB3' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.06 166.48 22.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 t -159.88 170.31 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.414 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.579 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 131.52 -162.97 23.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.601 ' CH2' ' HG2' ' A' ' 39' ' ' ARG . 29.5 m95 -112.55 148.6 34.17 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 48.2 p90 -153.58 159.4 32.15 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -74.99 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.444 1.76 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.1 p -92.14 -26.33 18.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -47.46 -32.86 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -95.89 -54.67 3.25 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 15' ' ' ALA . 0.5 OUTLIER -38.88 139.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -89.35 142.73 27.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.24 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -94.04 139.31 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.67 HG13 HD11 ' A' ' 34' ' ' ILE . 46.9 mm -106.71 -47.87 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.48 ' HG2' ' CG ' ' A' ' 69' ' ' GLU . 5.5 ttpt -77.99 102.06 7.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -21.6 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.066 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -10.88 60.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' CB ' HD21 ' A' ' 11' ' ' LEU . 4.6 mm-40 -99.63 -20.12 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -45.46 5.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.99 5.16 42.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.68 -88.62 2.07 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 142.45 27.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.555 1.818 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m 56.24 166.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m 73.6 114.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.59 150.56 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.011 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -169.93 146.18 3.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.48 91.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -152.34 81.8 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 0.732 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -170.66 160.74 7.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.558 1.161 . . . . 0.0 109.986 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.61 123.48 30.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.145 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.8 p -174.51 159.71 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 110.073 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.6 m80 65.41 31.64 10.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 109.639 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -154.17 111.6 3.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.247 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.559 HD13 ' CH2' ' A' ' 46' ' ' TRP . 0.5 OUTLIER -114.05 122.54 47.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.756 HG23 HD12 ' A' ' 34' ' ' ILE . 2.2 mp -85.86 114.81 26.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HA ' ' A' ' 64' ' ' GLU . 27.1 m -136.35 140.49 43.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.4 1.062 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.552 ' CD ' HG12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -94.84 154.58 17.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.82 151.33 24.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -63.8 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' CYS . 52.1 p90 -148.29 -169.62 3.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 111.052 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -54.52 106.98 0.24 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' HB3' HG23 ' A' ' 29' ' ' VAL . 33.6 t80 -115.2 113.32 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -93.72 132.2 38.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -73.33 146.09 45.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 t -75.96 -15.54 60.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.356 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -169.4 161.33 9.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -20.6 65.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -45.6 87.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.606 1.192 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.55 -179.85 6.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 ' C ' ' A' ' 54' ' ' THR . 0.4 OUTLIER -95.94 158.63 15.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 53' ' ' ARG . 13.1 t -133.35 137.56 45.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HD11 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -139.96 169.83 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' PHE . 1.3 m -126.89 -77.77 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.259 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -159.63 142.11 13.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 39.17 56.22 2.3 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.684 ' HB3' HD11 ' A' ' 50' ' ' LEU . 9.1 m-20 -102.95 -27.84 12.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 0.73 . . . . 0.0 109.217 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.756 HD12 HG23 ' A' ' 12' ' ' ILE . 0.7 OUTLIER 67.81 113.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.668 HD11 HG11 ' A' ' 29' ' ' VAL . 1.7 mp -115.56 149.25 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.532 ' O ' ' CA ' ' A' ' 48' ' ' GLY . 26.1 m-85 -108.6 110.24 21.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CE3' ' A' ' 46' ' ' TRP . 4.8 t -82.36 120.42 33.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.158 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.6 -46.27 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.42 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 3.7 ttm180 -62.63 -75.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.644 HG13 ' CZ2' ' A' ' 46' ' ' TRP . 47.9 t 69.19 83.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG2' ' CG ' ' A' ' 39' ' ' ARG . 5.9 mm-40 -127.26 177.02 6.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 44' ' ' GLY . 6.2 pt-20 -103.64 -11.53 17.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' GLU . . . -37.11 -30.93 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' GLU . . . 133.74 -36.5 2.11 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 36.0 m95 -100.61 174.93 5.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.644 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -137.78 123.05 19.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 107.994 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 56' ' ' TRP . 6.2 tt0 -93.91 116.64 29.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 36' ' ' TYR . . . -133.2 -161.95 9.99 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.45 1.094 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -142.72 136.88 29.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 0.807 . . . . 0.0 110.42 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' A' ' 33' ' ' ASP . 55.3 tp -116.69 168.22 10.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.508 ' H ' HD12 ' A' ' 50' ' ' LEU . 44.4 m-80 -43.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 63.31 36.2 93.08 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.441 1.088 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 28' ' ' SER . 3.6 mtt-85 -138.04 167.95 20.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 0.71 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.628 ' C ' HD12 ' A' ' 27' ' ' LEU . 4.9 t -160.11 171.12 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.401 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.581 ' N ' HD12 ' A' ' 27' ' ' LEU . . . 125.79 -173.62 17.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.142 . . . . 0.0 110.961 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 39' ' ' ARG . 33.1 m95 -101.0 173.81 6.3 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.566 ' HZ ' HG22 ' A' ' 37' ' ' VAL . 55.7 p90 -179.09 160.9 1.0 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.97 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.5 ' HB2' ' CE3' ' A' ' 46' ' ' TRP . 4.9 t -79.87 -17.56 52.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.374 1.046 . . . . 0.0 109.964 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.15 -30.88 67.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' ' HB2' ' A' ' 58' ' ' PRO . 6.0 m-85 -79.7 -53.08 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -69.51 139.18 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 14' ' ' LYS . 1.1 ttt180 -82.57 156.28 24.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.584 ' HA ' HG12 ' A' ' 13' ' ' VAL . 28.0 tt0 -103.09 147.65 26.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.408 ' HB ' HG22 ' A' ' 12' ' ' ILE . 49.1 mm -106.88 -49.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -59.52 119.93 8.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -12.53 28.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -91.56 -9.33 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.04 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -87.99 -41.63 13.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -42.73 97.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -97.78 12.78 32.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.983 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.56 64.71 0.34 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 58.51 4.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.521 1.8 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.5 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.55 110.75 6.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.582 1.176 . . . . 0.0 110.912 179.937 . . . . . . . . 0 0 . 1 stop_ save_