data_1ny8_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 1ny8 _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 ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -53.38 44.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' CD1' HG22 ' A' ' 35' ' ' VAL . 5.8 pt -66.87 -23.15 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.22 -40.27 52.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.2 t -71.37 -36.73 71.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.59 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -68.28 -39.93 81.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -40.93 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 29.7 m-20 -67.49 -38.41 84.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -64.86 -54.76 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.72 112.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -75.43 -152.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 172.74 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 173.67 -62.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -123.35 174.94 7.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 12' ' ' GLN . 21.6 m -138.21 154.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -143.33 102.14 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.2 m -98.87 73.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 8.3 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.25 136.2 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.511 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -94.71 127.75 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 53.2 t -108.82 92.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.65 127.57 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.69 117.51 30.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 75' ' ' TYR . 43.0 t -88.82 149.58 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.28 -111.73 0.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 mt-10 178.24 -32.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.8 tp -38.79 -58.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.85 38.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 13.9 t0 -98.45 70.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.7 -21.17 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 164.36 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -82.48 134.8 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -47.03 -33.98 5.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.87 -60.97 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -32.86 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.518 ' NZ ' ' CE1' ' A' ' 75' ' ' TYR . 4.5 ttpt -70.08 -76.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -42.39 -32.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' TYR . 30.9 tt0 -66.01 -75.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 m -51.94 -19.94 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -84.18 -32.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 14.0 t80 -85.81 -23.75 27.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -48.89 -52.83 20.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -53.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.4 pp -86.8 39.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.556 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.02 -43.77 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.92 -62.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -38.86 -47.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -67.57 -49.18 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -81.45 -41.6 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -56.55 -17.97 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm-85 -32.17 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.0 pt -37.67 -32.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 m-70 -122.23 -147.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -142.98 87.89 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG23 ' ND2' ' A' ' 65' ' ' ASN . 14.7 m -102.46 91.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -73.27 161.68 30.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -151.51 138.84 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -161.53 120.84 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -84.62 106.99 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 73' ' ' LYS . 14.7 m-85 -135.62 -179.75 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -84.02 -177.73 1.03 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.98 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.08 -25.46 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.77 -27.22 68.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.656 ' CD1' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.16 -75.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.22 -54.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -56.21 -40.47 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' TRP . 5.7 m-20 -67.64 -45.04 76.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.82 -16.76 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 4.9 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 12' ' ' GLN . 28.8 tt0 -39.4 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.42 -29.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 t -58.98 -27.46 65.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.52 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.8 tp -58.02 -45.46 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -44.55 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -51.0 -30.49 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 58' ' ' LEU . . . -85.78 -40.33 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -165.03 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.442 ' OG ' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER 176.61 -161.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 176.1 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 5.6 mt-30 154.93 -70.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 2.1 mt-10 -115.1 171.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.77 151.12 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CB ' HG21 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.81 99.61 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.78 93.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 51.9 p-80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -131.48 160.07 36.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -102.17 135.21 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.0 t -109.73 98.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.558 HG23 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.01 121.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -83.07 106.86 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 74.6 t -76.86 150.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 153.71 -138.11 6.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -159.11 19.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 23.7 tp -73.66 -68.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 18.9 m-85 -87.74 38.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.24 68.24 8.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.69 -19.54 1.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 165.8 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' VAL . 26.4 t -83.19 122.01 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 13.5 ttm180 -37.18 -31.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 75.1 t -75.5 -57.47 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -32.61 70.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 13.3 ttpp -70.7 -76.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.8 tm0? -45.45 -33.13 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 51.4 tt0 -64.87 -73.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.33 -20.37 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.594 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 37.1 t -83.37 -34.92 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.568 ' O ' ' CB ' ' A' ' 59' ' ' MET . 10.2 t80 -85.29 -21.88 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -49.61 -53.1 22.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.4 pp -86.76 38.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.568 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.48 -45.62 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' ALA . 3.0 mt-10 -74.33 -60.97 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -39.35 -44.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 58' ' ' LEU . 1.7 mp -73.7 -43.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.25 -41.53 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.55 -39.84 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -54.5 -19.22 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -34.04 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' ASN . 28.8 pt -39.45 -37.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' CE1' HD12 ' A' ' 67' ' ' ILE . 5.7 m-70 -107.86 -146.33 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -150.66 78.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 33.9 m -109.67 95.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 156.3 35.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.594 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -136.66 114.83 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 13.2 mmtm -139.17 124.9 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 75' ' ' TYR . . . -85.68 117.65 24.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 15.2 m-85 -156.01 -178.63 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.51 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -89.97 -176.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.39 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.06 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 2.7 tp10 -58.21 -31.03 66.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -60.33 -75.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.24 -49.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -59.12 -40.24 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.79 -46.49 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.535 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.23 -23.11 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.31 -17.12 35.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -75.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -20.75 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.476 ' CG ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.44 -34.86 58.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -74.63 -36.52 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' CD2' ' A' ' 61' ' ' TYR . 85.9 t -76.48 -33.28 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.41 -41.73 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 mtt -76.71 -47.09 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -56.21 -39.1 71.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 54' ' ' VAL . 2.5 pt? -175.1 115.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -148.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.685 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 178.78 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.98 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -127.83 176.22 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 12' ' ' GLN . 25.8 m -139.99 161.6 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.585 ' CE1' HG23 ' A' ' 38' ' ' VAL . 23.0 m170 -146.02 117.87 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.53 91.99 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 10.5 p-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 6.7 p90 -142.0 151.97 42.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -99.94 128.32 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' HD13 ' A' ' 72' ' ' ILE . 36.8 t -106.24 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.582 HG22 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.36 130.88 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -94.28 105.79 17.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' CE1' ' A' ' 25' ' ' HIS . 61.4 t -81.53 145.54 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.478 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.75 -150.01 15.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' HD22 ' A' ' 21' ' ' LEU . 1.6 mt-10 -154.35 16.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 2.3 tm? -86.77 -46.45 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.685 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 19.0 m-85 -97.28 28.83 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -81.49 66.39 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.2 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.09 166.03 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 t -83.14 124.73 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.7 ttp180 -36.41 -34.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 36.0 t -76.73 -71.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -31.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 1.1 ttpm? -74.01 -52.31 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.4 mt-30 -66.3 -17.22 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.3 mt-30 -83.55 -43.48 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 4.3 t -82.41 -21.95 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 38.1 t -86.71 -48.18 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.6 t80 -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -56.18 -53.23 44.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.8 pp -85.66 40.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.56 -40.85 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.0 mt-10 -69.56 -61.34 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 37.0 t80 -41.96 -44.18 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -71.06 -38.72 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -54.57 -34.46 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -46.45 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -58.17 -16.98 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 65' ' ' ASN . 5.5 ttt85 -32.87 -35.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 30.3 pt -38.6 -31.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.458 ' N ' ' C ' ' A' ' 66' ' ' ARG . 5.1 m170 -118.04 -146.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 32' ' ' HIS . . . -137.97 87.96 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -111.57 105.12 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 19.0 m -94.54 155.83 16.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.458 ' CG2' HG13 ' A' ' 54' ' ' VAL . 2.3 tp -138.67 116.63 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 8.5 mttt -136.32 109.66 7.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -74.89 111.91 10.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.5 m-85 -145.26 -178.2 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.72 -176.48 0.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.22 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 5.8 tt0 -61.09 -27.81 68.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.582 ' CD1' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.41 -74.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.022 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.5 -52.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.6 ttm180 -61.04 -41.85 97.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -61.65 -47.6 84.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -85.83 -15.96 40.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 m120 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -61.29 -73.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -31.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' CG ' HG22 ' A' ' 24' ' ' VAL . 1.3 mt-30 -72.21 -39.26 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' GLU . 22.9 t -68.45 -39.65 81.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -74.79 -28.64 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD22 ' CG1' ' A' ' 24' ' ' VAL . 5.9 tp -74.11 -32.47 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -42.62 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.47 -43.31 97.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -60.13 -61.12 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 108.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.57 -149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.3 OUTLIER 172.59 -46.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 9.9 tp60 173.26 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -127.04 177.51 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 12' ' ' GLN . 11.6 m -143.23 161.38 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CE1' HG21 ' A' ' 38' ' ' VAL . 14.8 m80 -141.16 114.51 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.97 80.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 12.3 p-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 32' ' ' HIS . 2.3 m-85 -125.61 141.83 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.636 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 32.9 tp60 -89.13 116.38 27.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 2.4 t -102.48 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.665 HG22 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.45 150.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -112.51 102.72 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 25' ' ' HIS . 77.9 t -79.5 148.89 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.49 -118.72 0.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 tt0 -172.14 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD22 ' CE1' ' A' ' 42' ' ' PHE . 30.0 tp -36.82 -62.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.578 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 9.0 m-30 -85.58 42.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 62.0 t0 -97.1 66.16 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.85 -15.32 1.76 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.5 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tpp -55.71 145.8 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.5 t -66.16 119.53 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -38.53 -32.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 10.0 p -71.84 -53.24 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' SER . 2.9 tmtm? -65.68 -35.15 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 1.9 ttpm? -66.87 -75.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.3 mt-30 -45.35 -34.0 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 25.9 tt0 -63.0 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 19' ' ' LEU . 1.2 m -52.29 -19.72 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 84.1 t -84.74 -30.01 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' MET . 14.1 t80 -85.48 -30.15 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -44.64 -53.55 7.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.9 pp -84.6 39.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.36 -50.45 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 61' ' ' TYR . 22.1 pt-20 -73.7 -52.87 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CG ' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -43.96 -43.99 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' HD11 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -72.62 -47.97 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -40.05 -42.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.29 -36.33 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.534 ' ND2' ' CG1' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.75 -17.06 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' ASN . 34.3 ttt85 -32.34 -35.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.528 HD11 ' CE1' ' A' ' 68' ' ' HIS . 23.1 pt -37.17 -40.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.528 ' CE1' HD11 ' A' ' 67' ' ' ILE . 1.8 m-70 -116.22 -145.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -149.83 92.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.534 ' CG1' ' ND2' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -110.83 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 3.6 m -80.57 148.76 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -131.36 113.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -142.15 109.38 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -79.1 112.83 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.1 m-85 -142.5 -177.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -85.59 -178.56 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.87 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.62 -26.14 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.69 -28.04 65.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.665 ' CD1' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.05 -74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -37.98 -52.51 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -41.6 88.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -65.09 -47.1 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -24.61 64.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.05 -16.29 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -50.6 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.7 mt -68.32 -24.92 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -37.18 57.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.3 t -72.3 -35.69 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.035 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -75.44 -34.47 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD21 ' CG1' ' A' ' 35' ' ' VAL . 8.9 tp -68.67 -40.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -42.57 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 13' ' ' SER . 17.5 m-20 -59.65 -41.84 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -64.99 -42.65 94.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 171.82 121.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -79.46 -152.6 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 1.9 tp 175.48 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.3 mm-40 156.8 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -125.27 167.6 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.43 150.18 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.49 ' CB ' HG23 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -138.5 113.33 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.4 m -116.41 91.49 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 18.1 p80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.81 138.24 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.598 ' OE1' ' CH2' ' A' ' 80' ' ' TRP . 3.1 tt0 -94.72 144.83 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 72' ' ' ILE . 59.2 t -114.12 84.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.668 ' CG2' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -86.55 119.16 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -83.74 110.28 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 55.9 t -77.26 157.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 147.91 -109.39 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 164.86 -22.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.2 -47.53 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 2.1 m-85 -89.04 27.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLU . 3.4 p-10 -96.48 13.35 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.66 0.59 5.88 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 tpp -109.58 151.15 27.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -65.87 149.0 50.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -57.48 -31.96 66.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 t -71.18 -65.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -32.06 36.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.2 ttmm -77.26 -29.93 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.88 -39.72 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.54 -30.43 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -81.19 -29.29 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 51.6 t -86.68 -42.24 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE1' HG23 ' A' ' 62' ' ' ILE . 12.4 t80 -84.97 -19.6 31.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.88 -53.44 39.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.98 -51.75 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 2.2 pp -86.34 39.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.22 -42.71 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -70.74 -68.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD2' HG22 ' A' ' 14' ' ' VAL . 22.7 t80 -36.47 -48.97 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.576 HG23 ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -64.69 -46.88 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.89 -43.34 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -43.93 63.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -57.75 -17.52 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' ASN . 22.4 ttt180 -31.69 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 17.4 pt -36.62 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.8 m-70 -119.78 -145.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -138.32 85.01 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.5 91.46 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.32 164.77 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -155.81 133.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -164.9 118.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . . . -78.84 105.44 10.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.8 m-85 -135.92 -178.34 5.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -83.37 -178.66 1.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.492 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.5 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.26 -28.69 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 7.3 tp10 -52.78 -37.4 59.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.27 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.22 -51.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -57.07 -39.93 75.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -69.39 -45.39 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -19.92 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.56 -17.67 33.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -45.31 77.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 33' ' ' PHE . 1.4 mp -65.04 -32.46 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' NE2' HG23 ' A' ' 24' ' ' VAL . 14.0 mt-30 -74.92 -40.83 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 13.9 t -68.73 -28.59 66.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 61' ' ' TYR . 70.6 t -77.99 -42.67 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 37' ' ' ALA . 10.3 tp -59.42 -43.19 93.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' LEU . 22.5 mtt -78.17 -41.29 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 13' ' ' SER . 31.6 m-20 -54.76 -32.54 60.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.38 -50.91 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -147.49 -119.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 1.4 m 158.42 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -169.68 -42.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.2 mt-30 157.24 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.43 174.33 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' A' ' 12' ' ' GLN . 16.1 m -134.88 151.29 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 38' ' ' VAL . 36.2 m80 -141.54 108.59 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.7 m -106.39 96.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.474 ' CB ' ' HB1' ' A' ' 69' ' ' ALA . 31.9 p-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 11' ' ' ILE . 18.3 p90 -136.56 155.85 49.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -103.03 142.32 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 ' CG2' ' A' ' 11' ' ' ILE . 89.9 t -114.77 99.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.69 127.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -88.53 102.63 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 25' ' ' HIS . 3.4 t -75.75 151.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.14 -100.36 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 2.7 mt-10 163.14 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HG ' ' CD1' ' A' ' 42' ' ' PHE . 7.4 tp -35.12 -64.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 5.9 m-85 -88.62 42.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 32.8 p-10 -87.48 11.1 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.41 13.49 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 42' ' ' PHE . 1.2 ttm -91.39 164.56 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 48' ' ' VAL . 46.6 t -90.84 127.23 36.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.6 tmm_? -36.45 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' SER . 99.2 t -75.69 -72.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -45.37 -36.44 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.3 mt-30 -59.56 -18.53 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -74.19 -47.96 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -19.0 34.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.514 ' CG1' HG22 ' A' ' 72' ' ' ILE . 3.4 t -86.47 -47.14 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CB ' ' O ' ' A' ' 51' ' ' GLN . 10.9 t80 -86.59 -21.4 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.76 -50.32 58.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.02 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 2.4 pp -86.79 38.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.555 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.31 -39.52 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ALA . 20.8 tt0 -67.76 -69.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 14' ' ' VAL . 27.6 t80 -38.31 -51.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.5 ' CG2' ' OH ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -60.39 -44.02 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -49.66 -43.6 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.62 -23.44 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.47 -16.54 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' A' ' 65' ' ' ASN . 7.5 ttt180 -31.34 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' ASN . 4.1 mm -37.57 -32.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.1 m170 -124.42 -166.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 32' ' ' HIS . . . -121.03 84.58 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' CE1' ' A' ' 33' ' ' PHE . 3.0 m -106.65 92.75 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 5.6 m -82.44 161.63 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.514 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -152.05 130.71 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -155.14 122.67 5.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.97 115.38 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 m-85 -145.38 -178.08 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -86.16 -178.39 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.34 36.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 4.1 tp10 -53.9 -35.73 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.91 -41.38 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -58.74 -58.67 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -57.19 -48.73 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.02 -45.17 75.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.35 -24.07 59.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -85.95 -16.51 38.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' ARG . 4.0 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -58.24 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -59.84 -31.74 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.94 -35.3 66.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 t -69.42 -37.03 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.66 -33.74 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 ' CG1' ' A' ' 35' ' ' VAL . 1.3 tp -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mtt -76.55 -41.34 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -58.87 -40.6 84.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -70.77 -40.17 72.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD11 ' O ' ' A' ' 18' ' ' ALA . 2.0 tp 177.83 110.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 2.6 m -75.15 -151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.609 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER 175.63 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER 158.6 -66.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.5 mt-10 -117.02 173.05 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.02 160.05 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CE1' HG23 ' A' ' 38' ' ' VAL . 15.2 m80 -140.73 134.23 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.41 80.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 29.4 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -148.97 139.99 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 71' ' ' SER . 2.8 tt0 -91.34 141.47 28.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 47.3 t -113.58 95.64 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.576 HD11 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -91.97 142.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -102.39 102.5 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' CE1' ' A' ' 25' ' ' HIS . 95.8 t -79.73 146.38 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.462 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 165.4 -110.71 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.1 mt-10 178.12 -31.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 2.6 tp -40.32 -49.39 2.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 12.6 m-85 -85.19 35.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . 13.8 t70 -96.7 72.22 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.26 -20.97 1.08 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.9 ttm -65.19 152.5 43.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' VAL . 6.6 t -74.12 122.22 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.3 ttp180 -37.28 -33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' SER . 77.5 t -75.26 -70.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.11 -35.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 5.9 ttpt -69.43 -75.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 3.5 tm0? -38.54 -34.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.9 tt0 -65.39 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -51.2 -20.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 22.2 t -84.6 -31.33 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 8.1 t80 -85.48 -34.77 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -42.21 -52.61 5.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.6 pp -84.23 40.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.58 -40.75 15.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -73.34 -66.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -37.12 -44.04 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -71.86 -46.67 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.49 -40.39 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -40.41 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -55.41 -19.14 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.2 ptm180 -35.99 -32.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASN . 16.3 pt -41.74 -37.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -113.51 -147.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.645 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -141.46 89.01 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 33' ' ' PHE . 20.0 m -112.5 98.32 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -72.16 163.43 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -154.55 123.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -161.72 120.04 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.606 ' CB ' ' CD2' ' A' ' 42' ' ' PHE . . . -80.57 118.28 22.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 20.5 m-85 -145.03 -178.42 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -84.34 -177.26 0.92 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -40.26 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.11 -30.97 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.546 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -50.81 -33.86 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CD1' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.32 -37.68 74.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CE ' ' A' ' 85' ' ' LYS . . . -59.8 -53.04 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 85' ' ' LYS . 4.0 ttt85 -67.92 -51.83 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.27 -44.75 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -76.09 -27.86 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -75.89 -18.41 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.9 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -53.11 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -67.49 -19.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -80.77 -38.08 29.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 8.2 t -71.34 -35.06 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 23.5 m -76.19 -44.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD23 ' CG1' ' A' ' 35' ' ' VAL . 11.5 tp -57.4 -45.59 84.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -75.21 -40.38 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.6 m-20 -52.41 -34.79 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' CB ' HD21 ' A' ' 58' ' ' LEU . . . -73.21 -50.0 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.647 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -154.38 -110.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 3.0 m 145.71 154.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -133.75 -44.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 163.53 -72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.91 176.32 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.53 154.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.6 m80 -143.97 107.81 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 16.9 m -105.38 92.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 69' ' ' ALA . 38.8 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 6.2 p90 -145.47 165.9 27.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 1.3 tm0? -116.38 126.65 53.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 11' ' ' ILE . 29.5 t -102.48 104.28 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.564 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -98.3 131.34 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.45 103.34 15.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 25' ' ' HIS . 22.1 t -77.06 155.02 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 157.06 -100.63 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.8 mt-10 164.06 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' GLU . 22.9 tp -36.78 -60.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CD2' HD13 ' A' ' 21' ' ' LEU . 12.0 m-85 -90.56 39.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' GLU . 39.6 p-10 -81.88 71.38 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.36 -18.54 2.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.508 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 33.9 tpp -53.12 147.58 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' VAL . 12.9 t -67.57 118.83 11.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.0 ttp85 -38.37 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' SER . 73.8 t -74.5 -54.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -62.05 -39.2 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' NZ ' ' CE1' ' A' ' 75' ' ' TYR . 8.3 ttmt -59.04 -62.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.572 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -62.48 -19.1 63.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.34 -47.65 48.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -19.93 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 96.3 t -84.46 -46.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 3.5 t80 -85.34 -34.29 21.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -41.36 -51.03 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.05 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.52 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 1.9 pp -84.31 40.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -87.56 -40.75 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 111.006 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.26 -69.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -38.29 -40.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CG1' ' O ' ' A' ' 58' ' ' LEU . 23.0 mm -71.42 -48.12 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.75 -40.07 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.75 -41.03 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -58.46 -17.65 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ASN . 17.9 ttt85 -33.61 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.5 pt -39.13 -30.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.6 m-70 -119.43 -146.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.575 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 32' ' ' HIS . . . -138.33 101.24 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 33' ' ' PHE . 10.7 m -127.5 99.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.473 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 2.5 m -100.13 118.17 35.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -106.7 126.97 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.3 mtpt -146.84 131.73 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.466 ' O ' ' CD ' ' A' ' 50' ' ' LYS . . . -86.26 125.77 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.592 ' CE1' ' NZ ' ' A' ' 50' ' ' LYS . 12.0 m-85 -158.01 -177.99 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -89.98 -176.72 0.68 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.25 -30.1 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -54.24 -31.58 53.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.564 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.87 -42.73 85.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 107.984 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -59.06 -59.08 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 86' ' ' LEU . 7.5 ttt-85 -58.59 -47.92 82.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.17 -46.47 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -73.51 -24.84 60.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -85.92 -14.86 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.4 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.94 -68.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.444 ' CD1' HG12 ' A' ' 26' ' ' VAL . 35.2 pt -49.13 -27.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.419 ' CG ' ' CG1' ' A' ' 24' ' ' VAL . 1.1 tt0 -75.5 -46.94 29.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 17.5 t -59.77 -28.35 67.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.457 HG23 ' CZ ' ' A' ' 61' ' ' TYR . 73.2 t -78.08 -47.53 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.77 -48.57 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' LEU . 37.5 mtt -71.19 -41.14 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.1 m-20 -53.51 -32.92 52.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -74.83 -47.76 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 53' ' ' THR . 1.1 mp -156.97 -108.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER 162.32 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER 178.6 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.5 mt-30 155.65 -71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 3.1 mt-10 -111.5 173.53 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.419 ' CG1' ' CG ' ' A' ' 12' ' ' GLN . 29.4 m -129.07 150.64 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.71 104.07 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 11' ' ' ILE . 27.0 m -105.67 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 1.5 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.942 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 7.5 p80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -146.74 153.0 39.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 1.6 tt0 -103.81 141.09 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 47.7 t -110.77 95.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.588 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.3 122.17 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -83.81 107.05 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 40.8 t -77.04 153.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 155.72 -112.45 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 5.7 tt0 178.89 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' GLU . 55.9 tp -34.55 -66.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD1' HD13 ' A' ' 21' ' ' LEU . 5.2 m-85 -83.52 45.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 23.0 t0 -100.99 72.41 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.92 -21.0 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.88 165.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' VAL . 41.9 t -92.66 129.42 38.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 21.5 ttp180 -38.27 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' SER . 71.3 t -75.05 -68.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -54.78 -37.74 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 2.4 ttmm -59.95 -64.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.0 mm-40 -60.64 -18.51 53.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.36 -50.87 23.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.99 -19.04 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 12.3 t -85.48 -49.36 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.582 ' CB ' ' O ' ' A' ' 51' ' ' GLN . 5.9 t80 -86.45 -18.84 30.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.05 -50.93 57.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.98 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.7 pp -84.3 40.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.92 -55.14 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.97 95.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CZ ' HG23 ' A' ' 14' ' ' VAL . 1.3 t80 -61.04 -53.33 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -63.89 -32.25 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 66' ' ' ARG . . . -57.05 -52.6 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -64.32 -36.19 83.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.57 -18.14 62.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.3 tpt85 -34.52 -33.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' ASN . 48.8 pt -40.16 -29.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 66' ' ' ARG . 21.4 m-70 -112.19 -144.85 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -143.64 69.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 17.6 m -101.06 92.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.9 m -77.28 166.79 22.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.511 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -152.87 137.14 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -162.48 133.06 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 21' ' ' LEU . . . -87.16 117.2 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD1' ' CD ' ' A' ' 79' ' ' GLU . 9.2 m-85 -153.53 -178.97 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.5 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.77 -177.46 0.88 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.1 Cg_endo -75.05 -38.8 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 -23.26 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.584 ' CD ' ' CD1' ' A' ' 75' ' ' TYR . 8.3 tt0 -60.1 -33.49 72.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.588 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.68 -75.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -39.23 -52.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.06 -39.25 69.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -71.81 -44.38 64.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -23.09 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.99 -17.83 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -54.26 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -69.15 -22.54 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 24' ' ' VAL . 2.2 tt0 -76.02 -35.85 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -41.42 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 ' CE2' ' A' ' 61' ' ' TYR . 27.7 m -73.8 -32.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 12.5 tp -70.06 -40.31 75.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -45.58 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -65.4 -27.18 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' VAL . . . -85.77 -43.32 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 177.39 109.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -84.75 -151.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.582 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER 174.52 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 3.9 mt-30 156.8 -67.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 mp0 -116.91 170.21 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 12' ' ' GLN . 9.8 m -139.24 163.56 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.51 ' CE1' HG23 ' A' ' 38' ' ' VAL . 23.3 m80 -147.76 131.69 17.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.5 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CB ' ' HB1' ' A' ' 69' ' ' ALA . 22.8 p80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 25.2 p90 -147.04 159.48 43.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 36' ' ' ILE . 14.9 tm0? -100.24 131.79 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 11' ' ' ILE . 35.8 t -110.4 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.52 138.05 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -98.89 102.24 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG23 ' CE1' ' A' ' 25' ' ' HIS . 76.9 t -77.23 148.28 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 161.21 -118.96 0.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -173.57 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 110.26 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 25.6 tp -38.46 -55.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 7.7 m-85 -86.71 38.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 40' ' ' GLU . 52.9 t0 -104.24 72.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.21 -19.66 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 166.43 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 48' ' ' VAL . 30.2 t -87.33 124.93 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -39.24 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 46' ' ' SER . 50.5 t -77.64 -59.15 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -58.69 -31.03 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -75.98 -43.72 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 3.2 mm-40 -69.89 -19.68 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -84.88 -41.56 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 t -81.58 -23.56 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 53.3 t -86.11 -46.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 10.0 t80 -84.85 -19.06 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.95 -53.04 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 2.2 pp -87.75 39.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.72 -41.89 15.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -70.51 -65.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CE2' HG21 ' A' ' 14' ' ' VAL . 6.2 t80 -36.77 -44.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 58' ' ' LEU . 2.5 mt -70.1 -48.71 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -41.01 -39.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' ILE . 15.2 m-20 -84.47 -38.17 20.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -57.86 -16.82 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.3 ttt180 -31.57 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' ASN . 4.2 mm -37.28 -33.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -125.86 -164.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.646 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 32' ' ' HIS . . . -124.01 89.31 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 10.5 m -110.91 94.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.23 152.79 34.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -140.65 112.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.5 mttt -139.85 119.8 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.431 ' CB ' ' HD3' ' A' ' 50' ' ' LYS . . . -80.34 118.94 22.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.419 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 12.1 m-85 -149.89 -179.22 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.485 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -89.07 -178.48 1.03 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -36.56 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.773 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.34 -23.71 30.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 5.5 tp10 -59.7 -34.54 73.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.609 ' CE2' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.16 -72.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.2 -39.76 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -59.9 -35.68 75.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -84.25 -51.8 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -30.87 70.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.6 ptmm? -86.78 -15.93 37.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.6 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -74.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG13 ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -46.68 -27.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -73.59 -44.63 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 61' ' ' TYR . 38.7 t -76.6 -39.33 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 53.2 tp -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 mtt -82.81 -39.84 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.7 m-20 -63.24 -32.7 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.8 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -175.45 105.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.75 -146.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 173.98 -43.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 4.5 tt0 172.32 -69.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.32 -178.3 4.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.254 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.16 163.32 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 38' ' ' VAL . 31.2 m80 -147.95 119.08 7.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.89 95.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 47.6 p-80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -136.03 168.66 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.546 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 24.6 tp60 -103.04 124.08 47.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG2' HG13 ' A' ' 11' ' ' ILE . 16.4 t -103.51 99.18 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.6 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -94.96 130.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -91.15 105.26 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 25' ' ' HIS . 2.7 t -75.85 145.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.86 -149.94 18.89 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -154.29 16.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' A' ' 42' ' ' PHE . 1.9 tm? -73.01 -59.75 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' A' ' 41' ' ' LEU . 19.9 m-85 -91.69 35.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.25 66.21 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 -16.69 1.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 167.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ARG . 24.5 t -89.06 123.64 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.6 ttm180 -38.06 -35.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 71.5 t -71.24 -58.33 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.83 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 13.4 ttpp -72.77 -75.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -48.68 -25.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 22.8 tt0 -69.24 -60.32 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -17.77 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' CG2' HD22 ' A' ' 19' ' ' LEU . 96.6 t -85.54 -36.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.587 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 6.5 t80 -86.32 -22.79 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -50.01 -51.26 30.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.05 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 62' ' ' ILE . 3.4 pp -79.84 38.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.587 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -80.8 -44.0 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -72.02 -56.32 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 14' ' ' VAL . 54.8 t80 -44.12 -44.86 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -67.97 -50.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.91 -44.4 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 -34.52 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -55.78 -18.49 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -31.15 -38.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 65' ' ' ASN . 20.8 mm -37.96 -43.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -113.51 -167.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -128.45 81.79 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 33' ' ' PHE . 9.6 m -107.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -74.99 153.3 38.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -135.11 113.17 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.534 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptt -135.82 116.45 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -79.48 117.53 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 14.7 m-85 -153.26 -178.78 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.515 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.07 -176.52 0.71 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.0 -39.11 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.88 -26.58 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.33 -30.4 64.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.6 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.66 -74.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.69 -52.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.95 -41.04 77.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -67.14 -44.94 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -24.61 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.49 -17.31 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.42 16.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 HD12 ' CG1' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -58.02 -25.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tt0 -77.78 -52.21 9.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 8.3 t -63.11 -27.89 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 61' ' ' TYR . 74.5 t -79.05 -47.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 37' ' ' ALA . 8.8 tp -57.67 -35.37 70.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' LEU . 1.1 mpt? -85.0 -36.72 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 13' ' ' SER . 36.5 m-20 -64.26 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . . . -85.66 -47.48 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -145.57 -121.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER 160.09 -168.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 175.96 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 157.59 -72.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.85 178.77 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.92 163.33 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.491 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -154.71 84.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG1' HD12 ' A' ' 11' ' ' ILE . 3.3 m -92.8 117.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 16.5 p-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -145.2 149.74 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' NE2' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -103.48 123.76 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.57 94.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -93.06 124.24 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -88.77 109.29 20.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 67.3 t -76.31 153.81 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . 153.76 -101.63 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 156.94 -18.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' GLU . 54.2 tp -38.54 -57.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 5.1 m-85 -87.12 36.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 28.5 t70 -86.77 67.92 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.76 -19.8 1.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 46' ' ' SER . 9.7 tpp -60.3 144.25 50.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.4 t -62.85 117.74 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.6 ttm180 -38.34 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 49' ' ' LYS . 7.2 p -75.27 -53.57 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -66.24 -24.74 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' NZ ' ' CE1' ' A' ' 75' ' ' TYR . 2.3 ttpt -78.96 -47.97 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 25.1 tp60 -68.02 -32.09 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 4.9 pt20 -75.55 -38.38 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 m -80.07 -25.53 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 ' CG1' HG21 ' A' ' 72' ' ' ILE . 23.2 t -86.43 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.635 ' CE1' ' CG2' ' A' ' 62' ' ' ILE . 17.6 t80 -84.66 -18.34 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.09 -53.61 39.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.809 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 62' ' ' ILE . 2.4 pp -85.44 39.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -86.31 -52.76 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -62.51 -44.73 95.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 14' ' ' VAL . 35.5 t80 -61.93 -60.26 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.635 ' CG2' ' CE1' ' A' ' 55' ' ' TYR . 2.2 tt -54.91 -29.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -63.31 -49.67 73.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -33.12 74.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -78.89 -17.7 55.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ASN . 64.0 ttt-85 -34.32 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.0 pt -38.24 -39.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' ARG . 18.0 m-70 -102.07 -143.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.653 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.26 64.45 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 12.4 m -94.84 89.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.439 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 7.9 m -73.52 168.97 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.489 HG21 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -153.91 121.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -144.94 129.49 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.45 117.22 24.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.0 m-85 -149.17 178.5 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -83.99 -179.0 1.3 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.54 -20.3 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.3 -31.92 70.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.624 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.64 -72.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.44 -51.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -38.92 85.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -67.34 -43.19 82.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -20.48 59.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.5 -17.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.2 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.456 ' C ' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.38 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 pt -40.39 -29.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 10' ' ' GLU . 4.1 tt0 -79.15 -69.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 7.8 t -43.56 -27.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.88 -50.12 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' HG12 ' A' ' 35' ' ' VAL . 43.4 tp -56.75 -31.92 65.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.92 -34.15 21.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 6.5 m-20 -66.92 -33.8 76.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -75.4 -53.17 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -177.49 111.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.82 -150.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 175.0 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 3.3 tt0 170.43 -62.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -124.3 171.94 9.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 12' ' ' GLN . 17.3 m -138.62 159.03 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CE1' HG23 ' A' ' 38' ' ' VAL . 30.0 m80 -143.95 111.21 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -104.64 74.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 7.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 2.5 p80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.6 OUTLIER -136.44 137.68 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.438 ' OE1' ' CZ2' ' A' ' 80' ' ' TRP . 3.8 tm0? -95.6 116.0 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 46.7 t -100.5 92.71 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -94.65 128.23 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -94.46 113.64 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 25' ' ' HIS . 87.0 t -86.07 155.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 160.81 -117.13 0.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -178.74 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 57.4 tp -40.08 -53.23 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 6.4 m-30 -90.26 36.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 40' ' ' GLU . 23.7 t70 -91.26 69.14 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.1 -18.28 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.5 ttm -52.25 150.32 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.3 t -72.51 119.23 16.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 ttp-105 -36.82 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.8 t -73.65 -57.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -59.74 -37.29 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.485 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.83 -72.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 5.5 mm-40 -52.61 -19.57 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 41.4 tt0 -74.38 -46.66 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -83.28 -19.97 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 38.7 t -86.35 -46.92 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 11.6 t80 -85.76 -20.24 29.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.14 -52.52 46.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.5 Cg_endo -74.97 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.3 pp -87.65 38.07 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -83.89 -39.38 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 8.5 mm-40 -70.82 -65.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.07 -44.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -68.78 -47.43 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.67 -45.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -37.79 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -60.02 -16.8 33.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -31.06 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG22 ' CG ' ' A' ' 68' ' ' HIS . 14.9 tt -36.96 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.52 ' CG ' HG22 ' A' ' 67' ' ' ILE . 13.9 m170 -121.5 -146.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -146.51 84.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.7 m -104.85 92.76 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.9 m -75.8 155.49 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -144.09 120.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -145.14 122.23 11.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 50' ' ' LYS . . . -82.83 107.37 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 8.4 m-85 -134.99 -178.05 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.46 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -85.71 -179.78 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -37.41 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.82 -23.68 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 5.8 tp10 -61.95 -30.95 71.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.579 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.67 -76.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.85 -49.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' HD23 ' A' ' 86' ' ' LEU . 18.9 ttt180 -58.58 -40.82 84.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 80' ' ' TRP . 12.9 m-20 -68.54 -42.43 78.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -27.82 64.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.36 -18.63 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' GLN . 1.3 t30 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -45.7 -44.12 13.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pt -61.93 -33.0 55.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . 20.7 mt-30 -76.83 -60.38 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 t -50.92 -28.22 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 42.1 t -80.75 -41.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' CG1' ' A' ' 35' ' ' VAL . 5.6 tp -59.32 -34.75 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.0 mtt -83.59 -37.9 22.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.84 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 19' ' ' LEU . . . -75.33 -39.98 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 1.3 tp 174.42 118.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -84.96 -149.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.8 OUTLIER 176.88 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 170.73 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -129.29 174.76 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.24 159.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' HG22 ' A' ' 38' ' ' VAL . 19.6 m80 -143.86 128.33 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -121.13 93.31 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 30.7 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 32' ' ' HIS . 4.6 m-85 -143.44 142.28 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -97.81 124.28 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.441 ' CG1' HD22 ' A' ' 15' ' ' LEU . 10.1 t -103.35 95.1 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.602 HG22 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.97 129.45 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.28 101.26 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 25' ' ' HIS . 80.4 t -76.69 146.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.09 -119.66 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' ASP . 2.1 mt-10 -178.02 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -41.15 -52.13 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -90.1 33.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' GLU . 31.1 t0 -84.05 68.19 9.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.61 -18.02 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.96 150.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ARG . 29.5 t -74.39 126.12 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.8 tmm_? -37.94 -37.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.39 -68.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -35.38 4.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -63.47 -73.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 11.2 mt-30 -52.34 -18.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -71.59 -51.44 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -83.68 -18.58 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 24.2 t -85.36 -48.78 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CB ' ' O ' ' A' ' 51' ' ' GLN . 8.9 t80 -86.06 -19.53 30.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.32 -53.03 43.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.0 -50.95 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.1 pp -87.62 39.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.555 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.02 -39.86 17.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.48 -66.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -38.23 -49.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' HD13 ' A' ' 58' ' ' LEU . 1.1 mp -66.0 -43.27 92.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.63 -49.1 7.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -38.46 65.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -59.06 -17.33 24.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm180 -33.33 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.2 pt -38.85 -30.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 67' ' ' ILE . 4.8 m170 -118.64 -145.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.576 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 32' ' ' HIS . . . -147.28 76.9 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 18.7 m -102.24 93.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 73.4 m -77.73 161.6 27.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -146.19 123.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -144.28 117.81 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -76.89 114.36 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 9.3 m-85 -144.24 -177.95 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.89 -178.69 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.08 -38.1 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.94 -23.08 36.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.52 -35.81 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.602 ' CD1' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.4 -24.19 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 85' ' ' LYS . . . -84.57 -44.6 13.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.622 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . 2.6 ttt180 -68.95 -21.45 64.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -87.82 -49.66 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -71.47 -28.26 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 81' ' ' ALA . 1.5 pttp -84.5 -15.7 45.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 4.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' GLN . 6.5 tt0 -42.66 -67.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.486 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -36.98 -33.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 24' ' ' VAL . 1.7 tt0 -78.16 -57.73 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 t -49.37 -37.15 23.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG22 ' CZ ' ' A' ' 61' ' ' TYR . 76.4 t -76.18 -41.23 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' LEU . 19.9 tp -57.75 -43.1 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -40.94 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -58.3 -33.48 69.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.22 -52.12 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 119.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -87.95 -151.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 175.26 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 1.2 tp60 171.56 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.33 177.62 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 12' ' ' GLN . 6.0 m -139.35 164.53 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.517 ' CE1' HG21 ' A' ' 38' ' ' VAL . 22.0 m80 -148.18 133.88 18.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.56 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 31.4 m -127.49 96.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.457 ' HB2' ' CB ' ' A' ' 69' ' ' ALA . 1.1 t-80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 70' ' ' VAL . 2.2 p90 -135.13 165.24 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.27 133.1 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 56.1 t -111.02 99.87 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.603 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.3 138.45 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -99.54 103.95 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG21 ' CE1' ' A' ' 25' ' ' HIS . 75.3 t -78.56 148.2 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.487 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.03 -118.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -176.64 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 66.7 tp -37.47 -57.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 m-85 -89.29 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' GLU . 14.2 t70 -93.6 70.76 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.1 -20.22 1.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 ttm -51.74 147.46 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 0.812 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.9 t -71.23 132.02 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' SER . 12.2 ttp85 -34.35 -66.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -48.1 -73.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -38.1 -32.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -71.39 -75.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -40.83 -38.19 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.7 tt0 -67.06 -68.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -49.42 -22.1 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.539 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 59.2 t -87.48 -32.21 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 5.5 t80 -84.71 -17.14 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -59.66 -53.18 48.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' A' ' 59' ' ' MET . 18.4 Cg_endo -74.99 -73.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -69.57 38.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.608 ' H ' ' C ' ' A' ' 57' ' ' PRO . 2.6 tmm? -72.86 -45.98 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.94 -56.09 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.53 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -46.94 -28.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -75.92 -59.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.95 -37.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ARG . 24.9 m-20 -85.91 -41.17 15.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.9 t-20 -39.58 -32.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' ASN . 4.3 tpt85 -30.02 -41.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 68' ' ' HIS . 23.2 pt -41.55 -44.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 67' ' ' ILE . 1.6 m170 -113.05 -144.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 32' ' ' HIS . . . -153.68 70.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 2.3 m -106.57 95.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 m -71.54 160.24 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CG2' HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -136.76 122.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.94 116.87 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' O ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.63 112.1 17.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 17.1 m-85 -146.82 -178.55 6.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.54 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -88.58 -175.6 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.428 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.16 -27.9 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 2.2 tt0 -55.69 -30.31 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.603 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -55.87 -58.62 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.0 ttt85 -58.96 -46.45 88.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.442 ' OD1' ' CG ' ' A' ' 79' ' ' GLU . 4.3 m-20 -57.19 -43.61 82.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.68 -26.86 60.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -85.59 -16.14 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' ARG . 3.7 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -60.59 -68.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.583 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 1.6 mp -57.16 -22.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -76.06 -38.46 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -65.93 -42.2 90.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 5.2 m -76.23 -34.56 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 6.6 tp -67.24 -38.02 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.86 -42.4 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.83 -41.88 74.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -71.07 -44.63 65.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 1.1 pp 177.18 121.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -102.2 106.88 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.631 ' CD1' ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -67.38 -33.34 75.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.3 mm-40 157.4 -69.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.0 mt-10 -107.53 170.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -132.36 149.83 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' HG22 ' A' ' 38' ' ' VAL . 34.8 m80 -141.41 128.56 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.33 94.38 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 69' ' ' ALA . 1.1 t-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CZ ' ' CG1' ' A' ' 70' ' ' VAL . 15.4 p90 -126.23 152.66 45.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 36' ' ' ILE . 5.6 tm0? -99.85 124.26 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' CG2' ' A' ' 11' ' ' ILE . 4.4 t -102.93 91.6 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.64 ' CG2' ' CD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -99.41 127.06 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.84 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG22 ' CE1' ' A' ' 25' ' ' HIS . 5.1 t -82.59 157.17 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.67 -106.0 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.9 mt-10 164.71 -24.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' GLU . 32.8 tp -37.54 -53.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 3.5 m-85 -87.46 40.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' GLU . 54.6 p-10 -91.92 10.51 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.27 15.87 1.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.29 163.67 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.7 t -94.41 126.81 39.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' SER . 16.7 ttm105 -34.43 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 65.5 t -75.46 -75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -29.92 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.6 mt-30 -75.18 -17.96 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.9 mt-30 -84.78 -38.06 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -82.68 -24.9 33.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' A' ' 19' ' ' LEU . 14.0 t -86.28 -47.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.3 t80 -83.5 -22.93 32.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 59' ' ' MET . . . -49.74 -54.41 17.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.3 pp -84.51 39.26 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.73 -48.11 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -68.55 -65.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 t80 -36.08 -47.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 58' ' ' LEU . 1.3 mp -71.95 -48.33 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.31 -36.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -44.69 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -56.29 -17.7 8.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -33.8 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 68' ' ' HIS . 11.0 tt -38.69 -32.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 67' ' ' ILE . 12.9 m80 -114.54 -147.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 32' ' ' HIS . . . -140.6 81.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.618 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 m -108.66 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 m -77.44 152.47 34.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.486 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -139.17 118.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptp? -141.31 142.6 33.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 50' ' ' LYS . . . -104.95 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 18.6 m-85 -141.47 -179.03 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.544 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -87.94 -175.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.9 -38.3 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.99 -32.05 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 22.1 tt0 -51.17 -38.5 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.64 ' CD1' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -53.6 -72.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.26 -39.49 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 16.4 ttt85 -59.82 -34.58 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -85.23 -51.38 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.408 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -62.06 -30.47 71.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.8 ptmm? -86.87 -15.79 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.5 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.523 0.201 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -171.65 122.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.98 124.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -179.79 108.69 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.87 27.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.557 1.819 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' GLU . 2.4 ptt? 173.43 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 10.5 pt-20 -60.33 -146.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 7.8 m-20 81.23 -0.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -75.35 -25.58 57.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -53.38 44.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' CD1' HG22 ' A' ' 35' ' ' VAL . 5.8 pt -66.87 -23.15 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.22 -40.27 52.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.2 t -71.37 -36.73 71.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.59 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -68.28 -39.93 81.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -40.93 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 29.7 m-20 -67.49 -38.41 84.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -64.86 -54.76 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.72 112.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -75.43 -152.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 172.74 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 173.67 -62.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -123.35 174.94 7.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 12' ' ' GLN . 21.6 m -138.21 154.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -143.33 102.14 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.498 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.2 m -98.87 73.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -88.72 171.46 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.55 -164.28 37.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.73 -59.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.62 -42.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' ' CE2' ' A' ' 33' ' ' PHE . 5.3 m -104.46 -58.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 8.3 p80 -95.07 126.8 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -128.25 136.2 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.511 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -94.71 127.75 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 53.2 t -108.82 92.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.656 ' CG2' ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.65 127.57 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.69 117.51 30.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 75' ' ' TYR . 43.0 t -88.82 149.58 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.28 -111.73 0.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 mt-10 178.24 -32.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.8 tp -38.79 -58.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -84.85 38.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 13.9 t0 -98.45 70.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.7 -21.17 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 164.36 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -82.48 134.8 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -47.03 -33.98 5.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.87 -60.97 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -32.86 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.518 ' NZ ' ' CE1' ' A' ' 75' ' ' TYR . 4.5 ttpt -70.08 -76.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -42.39 -32.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' TYR . 30.9 tt0 -66.01 -75.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 m -51.94 -19.94 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.9 t -84.18 -32.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 14.0 t80 -85.81 -23.75 27.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -48.89 -52.83 20.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.96 -53.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.4 pp -86.8 39.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.556 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.02 -43.77 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.92 -62.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -38.86 -47.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.461 HG12 ' CD1' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -67.57 -49.18 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -81.45 -41.6 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -56.55 -17.97 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm-85 -32.17 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.0 pt -37.67 -32.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 m-70 -122.23 -147.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -142.98 87.89 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG23 ' ND2' ' A' ' 65' ' ' ASN . 14.7 m -102.46 91.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -73.27 161.68 30.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -151.51 138.84 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -161.53 120.84 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.459 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -84.62 106.99 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 73' ' ' LYS . 14.7 m-85 -135.62 -179.75 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.511 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -84.02 -177.73 1.03 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.98 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.08 -25.46 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.77 -27.22 68.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.656 ' CD1' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.16 -75.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.22 -54.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -56.21 -40.47 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' TRP . 5.7 m-20 -67.64 -45.04 76.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.82 -16.76 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.27 -165.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -109.18 19.1 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.18 -30.31 4.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 13.3 m-85 -117.58 -0.27 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 91' ' ' GLU . 2.0 tt -137.86 11.81 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -179.84 42.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -63.77 157.17 25.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 69.32 77.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.625 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.419 ' HD1' ' CD2' ' A' ' 95' ' ' HIS . 2.7 t-80 -138.54 131.11 29.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.419 ' CD2' ' HD1' ' A' ' 94' ' ' HIS . 77.2 m-70 62.6 120.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -139.16 141.58 38.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.5 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt 76.32 87.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -164.49 115.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 t0 171.94 83.74 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.75 34.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.455 ' C ' ' CG ' ' A' ' 7' ' ' GLU . 7.0 mtt -164.31 -70.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' CG ' ' C ' ' A' ' 6' ' ' MET . 0.0 OUTLIER 166.54 45.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.42 16.69 12.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 4.9 t-20 -85.5 -43.58 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 12' ' ' GLN . 28.8 tt0 -39.4 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -41.42 -29.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 t -58.98 -27.46 65.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -38.52 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.8 tp -58.02 -45.46 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -44.55 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -51.0 -30.49 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 58' ' ' LEU . . . -85.78 -40.33 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -165.03 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.442 ' OG ' ' C ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER 176.61 -161.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 176.1 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 5.6 mt-30 154.93 -70.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 2.1 mt-10 -115.1 171.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -126.77 151.12 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' CB ' HG21 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.81 99.61 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.78 93.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.93 156.39 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.61 -128.38 2.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.67 -65.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.484 ' O ' ' CE1' ' A' ' 33' ' ' PHE . . . -178.54 -35.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -101.15 -51.63 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.033 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 51.9 p-80 -110.25 94.44 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -131.48 160.07 36.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -102.17 135.21 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.0 t -109.73 98.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.558 HG23 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.01 121.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -83.07 106.86 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 74.6 t -76.86 150.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 153.71 -138.11 6.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -159.11 19.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 23.7 tp -73.66 -68.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 18.9 m-85 -87.74 38.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.24 68.24 8.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.69 -19.54 1.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 165.8 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' VAL . 26.4 t -83.19 122.01 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 13.5 ttm180 -37.18 -31.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 75.1 t -75.5 -57.47 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -32.61 70.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 13.3 ttpp -70.7 -76.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.8 tm0? -45.45 -33.13 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 51.4 tt0 -64.87 -73.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.33 -20.37 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.594 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 37.1 t -83.37 -34.92 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.568 ' O ' ' CB ' ' A' ' 59' ' ' MET . 10.2 t80 -85.29 -21.88 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -49.61 -53.1 22.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.4 pp -86.76 38.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.568 ' CB ' ' O ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.48 -45.62 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' ALA . 3.0 mt-10 -74.33 -60.97 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -39.35 -44.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 HD11 ' CD1' ' A' ' 58' ' ' LEU . 1.7 mp -73.7 -43.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.25 -41.53 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.55 -39.84 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -54.5 -19.22 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -34.04 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' ASN . 28.8 pt -39.45 -37.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.466 ' CE1' HD12 ' A' ' 67' ' ' ILE . 5.7 m-70 -107.86 -146.33 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.553 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -150.66 78.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 33.9 m -109.67 95.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 156.3 35.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.594 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -136.66 114.83 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 13.2 mmtm -139.17 124.9 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 75' ' ' TYR . . . -85.68 117.65 24.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 15.2 m-85 -156.01 -178.63 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.51 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -89.97 -176.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.39 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.06 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 2.7 tp10 -58.21 -31.03 66.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' O ' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -60.33 -75.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.24 -49.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -59.12 -40.24 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.79 -46.49 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.23 -23.11 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.31 -17.12 35.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.08 -164.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -109.45 18.81 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.76 -32.14 4.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.2 m-85 -116.31 -0.64 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 84' ' ' ARG . 1.9 tt -137.8 12.96 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' ASN . 2.4 mt-10 -178.52 -172.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -166.93 100.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.09 176.4 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 m80 63.62 -179.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 68.09 80.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.45 83.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 8' ' ' ASN . 4.3 tt -162.44 -62.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.92 130.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.6 t0 64.74 117.0 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.14 34.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 mtm -162.09 -72.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 9' ' ' ASN . 2.3 mt-10 -150.93 -74.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.437 ' HB2' ' CD1' ' A' ' 2' ' ' ILE . 3.1 t-20 62.88 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 7' ' ' GLU . 14.2 t-20 -44.21 -25.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -61.36 -75.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -20.75 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' CG ' HG23 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.44 -34.86 58.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -74.63 -36.52 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' CG1' ' CD2' ' A' ' 61' ' ' TYR . 85.9 t -76.48 -33.28 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.9 tp -69.41 -41.73 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 mtt -76.71 -47.09 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -56.21 -39.1 71.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.88 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 54' ' ' VAL . 2.5 pt? -175.1 115.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -148.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.685 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 178.78 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.591 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.98 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -127.83 176.22 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 12' ' ' GLN . 25.8 m -139.99 161.6 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.585 ' CE1' HG23 ' A' ' 38' ' ' VAL . 23.0 m170 -146.02 117.87 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG22 ' ND2' ' A' ' 8' ' ' ASN . 2.9 m -114.53 91.99 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.17 144.61 31.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.3 -151.71 23.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -113.41 -59.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.44 -39.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 m -90.11 -59.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.975 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 10.5 p-80 -106.87 111.41 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.535 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 6.7 p90 -142.0 151.97 42.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -99.94 128.32 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' HD13 ' A' ' 72' ' ' ILE . 36.8 t -106.24 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.582 HG22 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.36 130.88 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -94.28 105.79 17.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' CE1' ' A' ' 25' ' ' HIS . 61.4 t -81.53 145.54 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.478 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.75 -150.01 15.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' HD22 ' A' ' 21' ' ' LEU . 1.6 mt-10 -154.35 16.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 2.3 tm? -86.77 -46.45 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.685 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 19.0 m-85 -97.28 28.83 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -81.49 66.39 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.2 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.09 166.03 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 t -83.14 124.73 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.7 ttp180 -36.41 -34.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 36.0 t -76.73 -71.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -31.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 1.1 ttpm? -74.01 -52.31 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.4 mt-30 -66.3 -17.22 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.3 mt-30 -83.55 -43.48 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.431 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 4.3 t -82.41 -21.95 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.506 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 38.1 t -86.71 -48.18 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.6 t80 -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -56.18 -53.23 44.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.8 pp -85.66 40.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.56 -40.85 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.0 mt-10 -69.56 -61.34 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD2' ' CG1' ' A' ' 14' ' ' VAL . 37.0 t80 -41.96 -44.18 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 ' CD1' HD12 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -71.06 -38.72 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -54.57 -34.46 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -46.45 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -58.17 -16.98 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 65' ' ' ASN . 5.5 ttt85 -32.87 -35.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 30.3 pt -38.6 -31.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' N ' ' C ' ' A' ' 66' ' ' ARG . 5.1 m170 -118.04 -146.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 32' ' ' HIS . . . -137.97 87.96 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -111.57 105.12 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 19.0 m -94.54 155.83 16.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.458 ' CG2' HG13 ' A' ' 54' ' ' VAL . 2.3 tp -138.67 116.63 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 8.5 mttt -136.32 109.66 7.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -74.89 111.91 10.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.5 m-85 -145.26 -178.2 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.72 -176.48 0.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.22 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 5.8 tt0 -61.09 -27.81 68.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.582 ' CD1' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.41 -74.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.022 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.5 -52.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.6 ttm180 -61.04 -41.85 97.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -61.65 -47.6 84.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -85.83 -15.96 40.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.9 mt -70.41 -160.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -115.26 26.41 10.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.66 -29.73 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 11.5 m-85 -117.17 1.0 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.6 OUTLIER -137.14 13.41 3.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.48 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 t-160 62.42 179.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.02 123.09 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.616 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -43.27 -63.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.22 65.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -48.88 111.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.553 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.495 0.188 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.43 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -144.21 -165.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 2' ' ' ILE . 1.9 mt-10 165.21 158.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.94 145.58 96.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.51 25.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 6' ' ' MET . 0.9 OUTLIER 168.62 93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 15.1 mt-10 -51.47 -97.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.401 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 1.2 t-20 74.41 4.0 4.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.351 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -85.62 -19.4 31.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -61.29 -73.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -46.13 -31.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' CG ' HG22 ' A' ' 24' ' ' VAL . 1.3 mt-30 -72.21 -39.26 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' GLU . 22.9 t -68.45 -39.65 81.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -74.79 -28.64 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD22 ' CG1' ' A' ' 24' ' ' VAL . 5.9 tp -74.11 -32.47 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -42.62 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.47 -43.31 97.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -60.13 -61.12 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD23 ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 108.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.57 -149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.3 OUTLIER 172.59 -46.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 9.9 tp60 173.26 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -127.04 177.51 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG22 ' CG ' ' A' ' 12' ' ' GLN . 11.6 m -143.23 161.38 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.582 ' CE1' HG21 ' A' ' 38' ' ' VAL . 14.8 m80 -141.16 114.51 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.97 80.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.34 122.38 27.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 33' ' ' PHE . . . -98.79 162.02 20.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.07 -62.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 0.811 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 175.84 83.94 0.06 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.4 m 89.01 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 0.804 . . . . 0.0 110.041 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.476 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 12.3 p-80 -122.55 124.98 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 2.3 m-85 -125.61 141.83 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.636 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 32.9 tp60 -89.13 116.38 27.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 2.4 t -102.48 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.665 HG22 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.45 150.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -112.51 102.72 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 HG21 ' CE1' ' A' ' 25' ' ' HIS . 77.9 t -79.5 148.89 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.49 -118.72 0.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 tt0 -172.14 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD22 ' CE1' ' A' ' 42' ' ' PHE . 30.0 tp -36.82 -62.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.578 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 9.0 m-30 -85.58 42.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 62.0 t0 -97.1 66.16 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.85 -15.32 1.76 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.5 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tpp -55.71 145.8 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.5 t -66.16 119.53 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -38.53 -32.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 10.0 p -71.84 -53.24 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 46' ' ' SER . 2.9 tmtm? -65.68 -35.15 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 42' ' ' PHE . 1.9 ttpm? -66.87 -75.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.3 mt-30 -45.35 -34.0 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 25.9 tt0 -63.0 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 19' ' ' LEU . 1.2 m -52.29 -19.72 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.494 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 84.1 t -84.74 -30.01 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' MET . 14.1 t80 -85.48 -30.15 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -44.64 -53.55 7.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.9 pp -84.6 39.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.36 -50.45 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 61' ' ' TYR . 22.1 pt-20 -73.7 -52.87 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CG ' HG22 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -43.96 -43.99 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' CD1' HD11 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -72.62 -47.97 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -40.05 -42.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.29 -36.33 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.534 ' ND2' ' CG1' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.75 -17.06 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' ASN . 34.3 ttt85 -32.34 -35.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.528 HD11 ' CE1' ' A' ' 68' ' ' HIS . 23.1 pt -37.17 -40.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.528 ' CE1' HD11 ' A' ' 67' ' ' ILE . 1.8 m-70 -116.22 -145.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -149.83 92.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.534 ' CG1' ' ND2' ' A' ' 65' ' ' ASN . 0.2 OUTLIER -110.83 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 3.6 m -80.57 148.76 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -131.36 113.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -142.15 109.38 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -79.1 112.83 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.1 m-85 -142.5 -177.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.508 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -85.59 -178.56 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.87 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.62 -26.14 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.69 -28.04 65.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.665 ' CD1' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.05 -74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -37.98 -52.51 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -41.6 88.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -65.09 -47.1 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -69.11 -24.61 64.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.05 -16.29 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.1 -163.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -111.49 23.1 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.07 -29.36 3.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 12.4 m-85 -116.94 -0.08 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.7 tt -139.55 13.92 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 90' ' ' LEU . 1.8 tp10 33.64 89.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . 74.9 t60 -127.86 51.97 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -172.08 -43.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 100.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -168.6 82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.57 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -57.47 162.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.98 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -132.76 10.47 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.72 71.09 1.48 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.02 57.34 4.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.453 1.764 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 3.1 mtt 167.37 -31.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 60.78 76.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.44 20.91 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -78.04 -21.9 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -50.6 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 35' ' ' VAL . 8.7 mt -68.32 -24.92 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -37.18 57.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.3 t -72.3 -35.69 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.035 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -75.44 -34.47 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD21 ' CG1' ' A' ' 35' ' ' VAL . 8.9 tp -68.67 -40.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -42.57 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 13' ' ' SER . 17.5 m-20 -59.65 -41.84 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -64.99 -42.65 94.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 171.82 121.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' O ' HD13 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -79.46 -152.6 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.583 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 1.9 tp 175.48 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.3 mm-40 156.8 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -125.27 167.6 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -127.43 150.18 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.49 ' CB ' HG23 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -138.5 113.33 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 11.4 m -116.41 91.49 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -96.53 127.04 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.507 ' CA ' ' HB3' ' A' ' 33' ' ' PHE . . . -143.52 168.49 26.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 173.14 83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 127.05 -48.91 0.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.614 ' CA ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER 165.6 -28.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.49 ' CB ' ' HB2' ' A' ' 69' ' ' ALA . 18.1 p80 -96.01 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' ' CA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -119.81 138.24 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.629 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 3.1 tt0 -94.72 144.83 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 72' ' ' ILE . 59.2 t -114.12 84.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.668 ' CG2' ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -86.55 119.16 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -83.74 110.28 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 55.9 t -77.26 157.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 147.91 -109.39 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 164.86 -22.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -43.2 -47.53 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.583 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 2.1 m-85 -89.04 27.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLU . 3.4 p-10 -96.48 13.35 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.66 0.59 5.88 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 tpp -109.58 151.15 27.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -65.87 149.0 50.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -57.48 -31.96 66.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 t -71.18 -65.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -32.06 36.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.2 ttmm -77.26 -29.93 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.88 -39.72 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.54 -30.43 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -81.19 -29.29 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.503 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 51.6 t -86.68 -42.24 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE1' HG23 ' A' ' 62' ' ' ILE . 12.4 t80 -84.97 -19.6 31.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.88 -53.44 39.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.484 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.98 -51.75 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 2.2 pp -86.34 39.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.22 -42.71 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -70.74 -68.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.562 ' CD2' HG22 ' A' ' 14' ' ' VAL . 22.7 t80 -36.47 -48.97 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.576 HG23 ' CE1' ' A' ' 55' ' ' TYR . 0.7 OUTLIER -64.69 -46.88 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.89 -43.34 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -43.93 63.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -57.75 -17.52 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' ASN . 22.4 ttt180 -31.69 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 17.4 pt -36.62 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.8 m-70 -119.78 -145.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' A' ' 32' ' ' HIS . . . -138.32 85.01 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.5 91.46 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.32 164.77 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -155.81 133.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -164.9 118.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' O ' ' NZ ' ' A' ' 50' ' ' LYS . . . -78.84 105.44 10.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.492 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.8 m-85 -135.92 -178.34 5.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.492 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -83.37 -178.66 1.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.492 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.5 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.26 -28.69 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 7.3 tp10 -52.78 -37.4 59.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.668 ' CD1' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.27 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.22 -51.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -57.07 -39.93 75.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -69.39 -45.39 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -70.79 -19.92 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.56 -17.67 33.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 mt -76.39 -167.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.06 17.91 22.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.86 -29.08 5.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.629 ' CZ ' ' OE1' ' A' ' 34' ' ' GLN . 13.2 m-85 -121.09 -0.27 10.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 0.8 OUTLIER -135.31 11.06 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.08 45.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -58.94 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -141.32 -65.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 41.21 73.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.533 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.614 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.23 144.07 26.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.503 0.192 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.8 tp -174.36 -48.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 69.56 134.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.41 153.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.14 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -34.95 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 70.17 82.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -101.04 27.86 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -79.07 -20.56 48.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.21 -45.31 77.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.577 HD12 ' CE1' ' A' ' 33' ' ' PHE . 1.4 mp -65.04 -32.46 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' NE2' HG23 ' A' ' 24' ' ' VAL . 14.0 mt-30 -74.92 -40.83 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 13.9 t -68.73 -28.59 66.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 61' ' ' TYR . 70.6 t -77.99 -42.67 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 37' ' ' ALA . 10.3 tp -59.42 -43.19 93.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' LEU . 22.5 mtt -78.17 -41.29 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 13' ' ' SER . 31.6 m-20 -54.76 -32.54 60.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.38 -50.91 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -147.49 -119.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 1.4 m 158.42 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER -169.68 -42.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.2 mt-30 157.24 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HB2' ' CG1' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.43 174.33 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' A' ' 12' ' ' GLN . 16.1 m -134.88 151.29 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.551 ' CE1' HG22 ' A' ' 38' ' ' VAL . 36.2 m80 -141.54 108.59 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.7 m -106.39 96.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -100.22 142.61 31.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.22 -146.56 15.33 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -124.63 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' OG ' ' A' ' 31' ' ' SER . . . -157.41 59.72 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.61 ' OG ' ' CE1' ' A' ' 68' ' ' HIS . 2.4 m 167.55 -62.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.474 ' CB ' ' HB1' ' A' ' 69' ' ' ALA . 31.9 p-80 -106.55 97.53 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.591 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.577 ' CE1' HD12 ' A' ' 11' ' ' ILE . 18.3 p90 -136.56 155.85 49.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -103.03 142.32 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.444 HG22 ' CG2' ' A' ' 11' ' ' ILE . 89.9 t -114.77 99.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.69 127.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' CB ' HD21 ' A' ' 15' ' ' LEU . . . -88.53 102.63 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 25' ' ' HIS . 3.4 t -75.75 151.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.14 -100.36 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 2.7 mt-10 163.14 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HG ' ' CD1' ' A' ' 42' ' ' PHE . 7.4 tp -35.12 -64.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' CD1' ' HG ' ' A' ' 41' ' ' LEU . 5.9 m-85 -88.62 42.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 32.8 p-10 -87.48 11.1 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.41 13.49 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 42' ' ' PHE . 1.2 ttm -91.39 164.56 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 48' ' ' VAL . 46.6 t -90.84 127.23 36.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.6 tmm_? -36.45 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' SER . 99.2 t -75.69 -72.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -45.37 -36.44 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.3 mt-30 -59.56 -18.53 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -74.19 -47.96 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -19.0 34.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.514 ' CG1' HG22 ' A' ' 72' ' ' ILE . 3.4 t -86.47 -47.14 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CB ' ' O ' ' A' ' 51' ' ' GLN . 10.9 t80 -86.59 -21.4 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.76 -50.32 58.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.02 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 2.4 pp -86.79 38.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.555 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.31 -39.52 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 63' ' ' ALA . 20.8 tt0 -67.76 -69.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CE2' HG21 ' A' ' 14' ' ' VAL . 27.6 t80 -38.31 -51.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.5 ' CG2' ' OH ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -60.39 -44.02 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -49.66 -43.6 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.62 -23.44 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.47 -16.54 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' A' ' 65' ' ' ASN . 7.5 ttt180 -31.34 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.519 ' N ' ' O ' ' A' ' 65' ' ' ASN . 4.1 mm -37.57 -32.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.61 ' CE1' ' OG ' ' A' ' 31' ' ' SER . 3.1 m170 -124.42 -166.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 32' ' ' HIS . . . -121.03 84.58 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.454 HG13 ' CE1' ' A' ' 33' ' ' PHE . 3.0 m -106.65 92.75 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 5.6 m -82.44 161.63 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.514 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -152.05 130.71 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -155.14 122.67 5.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.97 115.38 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 m-85 -145.38 -178.08 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -86.16 -178.39 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.34 36.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 4.1 tp10 -53.9 -35.73 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.574 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.91 -41.38 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -58.74 -58.67 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -57.19 -48.73 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.2 m-20 -55.02 -45.17 75.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.35 -24.07 59.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -85.95 -16.51 38.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' ARG . 4.0 mt -72.64 -162.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.79 21.77 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.94 -31.66 3.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 9.8 m-85 -117.48 1.03 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.53 12.97 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -173.39 -173.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CG ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER 177.77 71.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -76.76 166.88 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 66.05 119.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -86.27 113.23 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 74.17 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -173.77 -148.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 1.2 pt-20 -120.26 -170.78 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.7 97.23 43.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.49 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.19 -44.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -156.4 -143.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 4.8 m120 83.01 -3.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.52 -19.89 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -58.24 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -59.84 -31.74 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.94 -35.3 66.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 t -69.42 -37.03 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.66 -33.74 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 ' CG1' ' A' ' 35' ' ' VAL . 1.3 tp -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mtt -76.55 -41.34 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -58.87 -40.6 84.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -70.77 -40.17 72.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD11 ' O ' ' A' ' 18' ' ' ALA . 2.0 tp 177.83 110.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 2.6 m -75.15 -151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.609 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER 175.63 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER 158.6 -66.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.5 mt-10 -117.02 173.05 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.02 160.05 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.552 ' CE1' HG23 ' A' ' 38' ' ' VAL . 15.2 m80 -140.73 134.23 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 8' ' ' ASN . 2.7 p -119.41 80.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 29.4 t -76.43 157.25 32.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 174.39 48.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 178.8 152.66 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 109.97 -21.39 25.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.1 m 157.24 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 32' ' ' HIS . 6.6 p-80 -121.25 117.36 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' HG11 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -148.97 139.99 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 71' ' ' SER . 2.8 tt0 -91.34 141.47 28.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 47.3 t -113.58 95.64 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.576 HD11 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -91.97 142.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -102.39 102.5 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' CE1' ' A' ' 25' ' ' HIS . 95.8 t -79.73 146.38 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 165.4 -110.71 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.1 mt-10 178.12 -31.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 2.6 tp -40.32 -49.39 2.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.609 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 12.6 m-85 -85.19 35.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . 13.8 t70 -96.7 72.22 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.26 -20.97 1.08 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.9 ttm -65.19 152.5 43.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' VAL . 6.6 t -74.12 122.22 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.3 ttp180 -37.28 -33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' SER . 77.5 t -75.26 -70.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.11 -35.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 5.9 ttpt -69.43 -75.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 3.5 tm0? -38.54 -34.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.9 tt0 -65.39 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -51.2 -20.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 22.2 t -84.6 -31.33 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 8.1 t80 -85.48 -34.77 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -42.21 -52.61 5.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.01 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.6 pp -84.23 40.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.58 -40.75 15.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -73.34 -66.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -37.12 -44.04 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 ' CD1' HD12 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -71.86 -46.67 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.49 -40.39 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -40.41 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -55.41 -19.14 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.2 ptm180 -35.99 -32.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASN . 16.3 pt -41.74 -37.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -113.51 -147.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.645 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -141.46 89.01 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.504 HG11 ' CE2' ' A' ' 33' ' ' PHE . 20.0 m -112.5 98.32 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -72.16 163.43 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -154.55 123.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -161.72 120.04 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.606 ' CB ' ' CD2' ' A' ' 42' ' ' PHE . . . -80.57 118.28 22.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.546 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 20.5 m-85 -145.03 -178.42 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -84.34 -177.26 0.92 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -40.26 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.11 -30.97 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.546 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -50.81 -33.86 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.576 ' CD1' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.32 -37.68 74.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CE ' ' A' ' 85' ' ' LYS . . . -59.8 -53.04 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 85' ' ' LYS . 4.0 ttt85 -67.92 -51.83 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.27 -44.75 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -76.09 -27.86 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -75.89 -18.41 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.9 mt -86.76 -146.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.53 25.38 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.02 -37.31 3.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.465 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 5.8 m-30 -114.93 -9.28 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.33 0.82 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 83.35 -177.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.3 OUTLIER 73.12 -177.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.557 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 92' ' ' HIS . 1.3 m-70 -178.87 175.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.663 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -116.63 -58.58 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 95' ' ' HIS . 4.3 p80 -150.46 58.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 41.94 86.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.55 122.12 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.74 121.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.77 144.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.96 123.54 7.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER 161.33 92.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 13.9 pt-20 -60.1 -146.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 11.5 m-20 75.3 3.41 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -84.14 -19.69 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -53.11 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.483 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -67.49 -19.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -80.77 -38.08 29.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 8.2 t -71.34 -35.06 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.483 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 23.5 m -76.19 -44.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD23 ' CG1' ' A' ' 35' ' ' VAL . 11.5 tp -57.4 -45.59 84.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -75.21 -40.38 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.6 m-20 -52.41 -34.79 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' CB ' HD21 ' A' ' 58' ' ' LEU . . . -73.21 -50.0 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.647 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.3 OUTLIER -154.38 -110.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 3.0 m 145.71 154.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.575 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -133.75 -44.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 163.53 -72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.91 176.32 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -135.53 154.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.586 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.6 m80 -143.97 107.81 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 16.9 m -105.38 92.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -101.32 147.16 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.81 -148.79 19.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.8 -155.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -92.86 70.37 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.5 m 159.0 -75.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 110.049 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 69' ' ' ALA . 38.8 p-80 -93.13 103.91 16.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CZ ' HG13 ' A' ' 70' ' ' VAL . 6.2 p90 -145.47 165.9 27.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 1.3 tm0? -116.38 126.65 53.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 11' ' ' ILE . 29.5 t -102.48 104.28 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.564 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -98.3 131.34 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.45 103.34 15.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 25' ' ' HIS . 22.1 t -77.06 155.02 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 157.06 -100.63 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.8 mt-10 164.06 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' GLU . 22.9 tp -36.78 -60.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.575 ' CD2' HD13 ' A' ' 21' ' ' LEU . 12.0 m-85 -90.56 39.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' GLU . 39.6 p-10 -81.88 71.38 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.36 -18.54 2.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.508 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 33.9 tpp -53.12 147.58 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' VAL . 12.9 t -67.57 118.83 11.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.0 ttp85 -38.37 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' SER . 73.8 t -74.5 -54.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -62.05 -39.2 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' NZ ' ' CE1' ' A' ' 75' ' ' TYR . 8.3 ttmt -59.04 -62.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.572 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -62.48 -19.1 63.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.34 -47.65 48.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -85.25 -19.93 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 96.3 t -84.46 -46.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 3.5 t80 -85.34 -34.29 21.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -41.36 -51.03 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.05 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.52 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 1.9 pp -84.31 40.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -87.56 -40.75 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 111.006 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.26 -69.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -38.29 -40.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.52 ' CG1' ' O ' ' A' ' 58' ' ' LEU . 23.0 mm -71.42 -48.12 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.75 -40.07 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.75 -41.03 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -58.46 -17.65 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ASN . 17.9 ttt85 -33.61 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.5 pt -39.13 -30.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.6 m-70 -119.43 -146.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.575 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 32' ' ' HIS . . . -138.33 101.24 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 33' ' ' PHE . 10.7 m -127.5 99.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.473 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 2.5 m -100.13 118.17 35.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -106.7 126.97 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.3 mtpt -146.84 131.73 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.466 ' O ' ' CD ' ' A' ' 50' ' ' LYS . . . -86.26 125.77 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.592 ' CE1' ' NZ ' ' A' ' 50' ' ' LYS . 12.0 m-85 -158.01 -177.99 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -89.98 -176.72 0.68 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.25 -30.1 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -54.24 -31.58 53.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.564 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.87 -42.73 85.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 107.984 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -59.06 -59.08 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 86' ' ' LEU . 7.5 ttt-85 -58.59 -47.92 82.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 13.1 m-20 -54.17 -46.47 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -73.51 -24.84 60.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -85.92 -14.86 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.4 mt -71.85 -162.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.486 ' HA ' ' CG ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -114.26 26.33 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.88 -29.96 2.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 9.9 m-85 -115.92 1.29 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 84' ' ' ARG . 1.4 tt -129.92 6.36 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 87' ' ' ASN . 7.5 pt-20 170.91 -179.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.46 140.2 39.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -92.17 177.17 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -41.33 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -145.96 -57.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 41.95 78.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.598 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -164.48 175.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.51 125.81 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 168.55 12.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -75.02 153.16 41.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.821 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 2.9 mtt 166.57 104.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -61.2 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 6.1 m-20 84.05 -6.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.03 -25.47 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.94 -68.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' CD1' HG12 ' A' ' 26' ' ' VAL . 35.2 pt -49.13 -27.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.419 ' CG ' ' CG1' ' A' ' 24' ' ' VAL . 1.1 tt0 -75.5 -46.94 29.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 17.5 t -59.77 -28.35 67.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.457 HG23 ' CZ ' ' A' ' 61' ' ' TYR . 73.2 t -78.08 -47.53 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.77 -48.57 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' LEU . 37.5 mtt -71.19 -41.14 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.1 m-20 -53.51 -32.92 52.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -74.83 -47.76 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 53' ' ' THR . 1.1 mp -156.97 -108.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER 162.32 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 42' ' ' PHE . 0.1 OUTLIER 178.6 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.5 mt-30 155.65 -71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 3.1 mt-10 -111.5 173.53 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.419 ' CG1' ' CG ' ' A' ' 12' ' ' GLN . 29.4 m -129.07 150.64 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.471 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.71 104.07 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 11' ' ' ILE . 27.0 m -105.67 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 1.5 m -110.35 162.18 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.74 -138.19 7.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.77 -65.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.25 -41.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.572 ' O ' ' CE1' ' A' ' 33' ' ' PHE . 6.6 m -99.83 -47.23 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 7.5 p80 -104.91 112.02 25.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CE1' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -146.74 153.0 39.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 1.6 tt0 -103.81 141.09 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' N ' ' HG3' ' A' ' 34' ' ' GLN . 47.7 t -110.77 95.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.588 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.3 122.17 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -83.81 107.05 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 40.8 t -77.04 153.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 155.72 -112.45 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 5.7 tt0 178.89 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' GLU . 55.9 tp -34.55 -66.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CD1' HD13 ' A' ' 21' ' ' LEU . 5.2 m-85 -83.52 45.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 23.0 t0 -100.99 72.41 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.92 -21.0 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.88 165.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' VAL . 41.9 t -92.66 129.42 38.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 21.5 ttp180 -38.27 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' SER . 71.3 t -75.05 -68.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -54.78 -37.74 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HE3' ' CE1' ' A' ' 75' ' ' TYR . 2.4 ttmm -59.95 -64.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.0 mm-40 -60.64 -18.51 53.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.36 -50.87 23.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.99 -19.04 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 12.3 t -85.48 -49.36 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.582 ' CB ' ' O ' ' A' ' 51' ' ' GLN . 5.9 t80 -86.45 -18.84 30.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.05 -50.93 57.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.3 Cg_endo -74.98 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.7 pp -84.3 40.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.92 -55.14 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.97 95.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CZ ' HG23 ' A' ' 14' ' ' VAL . 1.3 t80 -61.04 -53.33 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -63.89 -32.25 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 66' ' ' ARG . . . -57.05 -52.6 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -64.32 -36.19 83.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.57 -18.14 62.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.3 tpt85 -34.52 -33.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' ASN . 48.8 pt -40.16 -29.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 66' ' ' ARG . 21.4 m-70 -112.19 -144.85 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -143.64 69.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 17.6 m -101.06 92.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.9 m -77.28 166.79 22.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.511 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.1 OUTLIER -152.87 137.14 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -162.48 133.06 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' CB ' HD12 ' A' ' 21' ' ' LEU . . . -87.16 117.2 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD1' ' CD ' ' A' ' 79' ' ' GLU . 9.2 m-85 -153.53 -178.97 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.5 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.77 -177.46 0.88 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.1 Cg_endo -75.05 -38.8 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 -23.26 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.584 ' CD ' ' CD1' ' A' ' 75' ' ' TYR . 8.3 tt0 -60.1 -33.49 72.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.588 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.68 -75.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -39.23 -52.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.06 -39.25 69.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -71.81 -44.38 64.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -69.06 -23.09 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.99 -17.83 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.32 -164.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -109.7 23.84 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.98 -30.16 3.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 10.7 m-85 -120.18 -0.87 10.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.624 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -119.12 -5.96 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 87.65 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.0 44.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.53 -174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 59.25 168.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.563 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 96' ' ' HIS . 35.5 t60 -178.82 167.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.467 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 32.3 t-80 72.34 -64.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.582 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -176.38 -164.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 1.5 tt0 -142.38 -149.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -138.92 68.82 42.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.03 -60.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.51 37.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -83.27 5.3 23.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -68.21 -23.62 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -54.26 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -69.15 -22.54 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HG3' ' CG2' ' A' ' 24' ' ' VAL . 2.2 tt0 -76.02 -35.85 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -41.42 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 ' CE2' ' A' ' 61' ' ' TYR . 27.7 m -73.8 -32.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 12.5 tp -70.06 -40.31 75.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -45.58 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -65.4 -27.18 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' VAL . . . -85.77 -43.32 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 53' ' ' THR . 0.3 OUTLIER 177.39 109.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -84.75 -151.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.582 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER 174.52 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 3.9 mt-30 156.8 -67.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 mp0 -116.91 170.21 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.434 ' CG2' ' HG3' ' A' ' 12' ' ' GLN . 9.8 m -139.24 163.56 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.51 ' CE1' HG23 ' A' ' 38' ' ' VAL . 23.3 m80 -147.76 131.69 17.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.5 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -97.28 133.39 41.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.63 -153.92 25.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.55 -61.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.576 ' HA ' ' CE1' ' A' ' 68' ' ' HIS . 37.9 m -83.84 -63.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.488 ' CB ' ' HB1' ' A' ' 69' ' ' ALA . 22.8 p80 -111.24 115.2 28.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 11' ' ' ILE . 25.2 p90 -147.04 159.48 43.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 36' ' ' ILE . 14.9 tm0? -100.24 131.79 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 11' ' ' ILE . 35.8 t -110.4 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.52 138.05 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -98.89 102.24 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG23 ' CE1' ' A' ' 25' ' ' HIS . 76.9 t -77.23 148.28 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 161.21 -118.96 0.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -173.57 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 110.26 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 25.6 tp -38.46 -55.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' ' CD1' ' A' ' 21' ' ' LEU . 7.7 m-85 -86.71 38.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 40' ' ' GLU . 52.9 t0 -104.24 72.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.21 -19.66 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 166.43 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 48' ' ' VAL . 30.2 t -87.33 124.93 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -39.24 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 46' ' ' SER . 50.5 t -77.64 -59.15 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -58.69 -31.03 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -75.98 -43.72 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 3.2 mm-40 -69.89 -19.68 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -84.88 -41.56 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 t -81.58 -23.56 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 53.3 t -86.11 -46.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 10.0 t80 -84.85 -19.06 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.95 -53.04 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 2.2 pp -87.75 39.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.72 -41.89 15.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -70.51 -65.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CE2' HG21 ' A' ' 14' ' ' VAL . 6.2 t80 -36.77 -44.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 58' ' ' LEU . 2.5 mt -70.1 -48.71 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -41.01 -39.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' ILE . 15.2 m-20 -84.47 -38.17 20.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -57.86 -16.82 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.3 ttt180 -31.57 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.515 ' N ' ' O ' ' A' ' 65' ' ' ASN . 4.2 mm -37.28 -33.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -125.86 -164.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.646 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.488 ' HB1' ' CB ' ' A' ' 32' ' ' HIS . . . -124.01 89.31 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG11 ' CZ ' ' A' ' 33' ' ' PHE . 10.5 m -110.91 94.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.23 152.79 34.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -140.65 112.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.5 mttt -139.85 119.8 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.431 ' CB ' ' HD3' ' A' ' 50' ' ' LYS . . . -80.34 118.94 22.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 12.1 m-85 -149.89 -179.22 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.485 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -89.07 -178.48 1.03 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -36.56 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.773 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.34 -23.71 30.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 5.5 tp10 -59.7 -34.54 73.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.609 ' CE2' ' CD1' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.16 -72.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.2 -39.76 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 0.9 OUTLIER -59.9 -35.68 75.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -84.25 -51.8 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.26 -30.87 70.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.6 ptmm? -86.78 -15.93 37.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.6 mt -75.27 -159.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.11 20.18 16.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.08 -33.75 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 7.1 m-85 -113.76 -0.04 14.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.6 11.77 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -165.12 -158.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 2.8 t60 85.9 178.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -72.08 -44.08 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' A' ' 93' ' ' HIS . 0.1 OUTLIER 166.8 -72.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 96' ' ' HIS . 66.8 t60 -175.3 164.35 3.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 6.9 p-80 -84.61 119.87 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.583 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -173.85 -162.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.448 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -162.82 123.91 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.68 128.12 51.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.808 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -142.91 -52.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 3.5 pt-20 -172.42 -169.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 4.7 m-20 84.66 -1.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -83.96 -20.18 33.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -74.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG13 ' CG2' ' A' ' 35' ' ' VAL . 0.2 OUTLIER -46.68 -27.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -73.59 -44.63 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 61' ' ' TYR . 38.7 t -76.6 -39.33 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 53.2 tp -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 mtt -82.81 -39.84 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.7 m-20 -63.24 -32.7 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.93 -54.8 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD13 ' CE2' ' A' ' 42' ' ' PHE . 0.7 OUTLIER -175.45 105.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.75 -146.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 173.98 -43.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 4.5 tt0 172.32 -69.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.32 -178.3 4.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.254 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.16 163.32 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 38' ' ' VAL . 31.2 m80 -147.95 119.08 7.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.9 m -114.89 95.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -99.71 132.27 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.65 -143.85 10.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.06 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.17 -91.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -160.29 74.26 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.626 ' OG ' ' CE1' ' A' ' 68' ' ' HIS . 2.0 m 158.11 -60.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.483 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 47.6 p-80 -117.07 97.26 5.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -136.03 168.66 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.546 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 24.6 tp60 -103.04 124.08 47.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.466 ' CG2' HG13 ' A' ' 11' ' ' ILE . 16.4 t -103.51 99.18 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.6 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -94.96 130.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -91.15 105.26 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 25' ' ' HIS . 2.7 t -75.85 145.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.86 -149.94 18.89 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -154.29 16.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD12 ' CD1' ' A' ' 42' ' ' PHE . 1.9 tm? -73.01 -59.75 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' CD1' HD12 ' A' ' 41' ' ' LEU . 19.9 m-85 -91.69 35.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.25 66.21 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 -16.69 1.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 167.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ARG . 24.5 t -89.06 123.64 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.6 ttm180 -38.06 -35.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 71.5 t -71.24 -58.33 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.83 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 13.4 ttpp -72.77 -75.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -48.68 -25.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 22.8 tt0 -69.24 -60.32 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -17.77 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' CG2' HD22 ' A' ' 19' ' ' LEU . 96.6 t -85.54 -36.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.587 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 6.5 t80 -86.32 -22.79 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -50.01 -51.26 30.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.1 Cg_endo -75.05 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 62' ' ' ILE . 3.4 pp -79.84 38.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.587 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -80.8 -44.0 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -72.02 -56.32 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 14' ' ' VAL . 54.8 t80 -44.12 -44.86 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -67.97 -50.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.91 -44.4 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 -34.52 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -55.78 -18.49 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -31.15 -38.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 65' ' ' ASN . 20.8 mm -37.96 -43.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.626 ' CE1' ' OG ' ' A' ' 31' ' ' SER . 2.7 m-70 -113.51 -167.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -128.45 81.79 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.567 HG13 ' CZ ' ' A' ' 33' ' ' PHE . 9.6 m -107.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -74.99 153.3 38.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -135.11 113.17 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.534 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptt -135.82 116.45 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -79.48 117.53 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 14.7 m-85 -153.26 -178.78 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.515 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.07 -176.52 0.71 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.0 -39.11 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.88 -26.58 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.33 -30.4 64.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.6 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.66 -74.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.69 -52.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.95 -41.04 77.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -67.14 -44.94 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -24.61 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.49 -17.31 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.22 -164.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.7 19.75 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.92 -32.65 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.44 -0.52 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 1.2 tt -135.69 12.33 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.43 -175.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -153.44 87.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.82 161.71 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.569 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.61 158.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -173.9 132.38 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.04 138.54 24.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.619 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.14 153.02 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.84 129.42 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.405 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 13.3 t70 48.67 65.13 7.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.95 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.532 1.806 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 170.05 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -151.61 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.438 ' CB ' HG23 ' A' ' 26' ' ' VAL . 0.7 OUTLIER -91.98 24.27 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.72 -20.59 35.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -54.42 16.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 HD12 ' CG1' ' A' ' 26' ' ' VAL . 1.0 OUTLIER -58.02 -25.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tt0 -77.78 -52.21 9.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 8.3 t -63.11 -27.89 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.561 HG21 ' CE1' ' A' ' 61' ' ' TYR . 74.5 t -79.05 -47.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 37' ' ' ALA . 8.8 tp -57.67 -35.37 70.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' LEU . 1.1 mpt? -85.0 -36.72 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 13' ' ' SER . 36.5 m-20 -64.26 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 58' ' ' LEU . . . -85.66 -47.48 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -145.57 -121.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER 160.09 -168.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 175.96 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 157.59 -72.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.85 178.77 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.92 163.33 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.491 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -154.71 84.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' A' ' 8' ' ' ASN . 3.3 m -92.8 117.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 p -127.8 155.59 43.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' ASP . . . 128.76 -162.36 22.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER 160.88 149.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 106.72 -31.56 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 153.13 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 16.5 p-80 -115.63 126.82 54.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -145.2 149.74 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.48 123.76 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.57 94.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -93.06 124.24 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -88.77 109.29 20.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 67.3 t -76.31 153.81 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . 153.76 -101.63 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 156.94 -18.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' GLU . 54.2 tp -38.54 -57.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.591 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 5.1 m-85 -87.12 36.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 28.5 t70 -86.77 67.92 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.76 -19.8 1.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.441 ' HG3' ' N ' ' A' ' 46' ' ' SER . 9.7 tpp -60.3 144.25 50.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.4 t -62.85 117.74 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.6 ttm180 -38.34 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 49' ' ' LYS . 7.2 p -75.27 -53.57 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -66.24 -24.74 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' NZ ' ' CE1' ' A' ' 75' ' ' TYR . 2.3 ttpt -78.96 -47.97 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 25.1 tp60 -68.02 -32.09 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 4.9 pt20 -75.55 -38.38 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 m -80.07 -25.53 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.489 ' CG1' HG21 ' A' ' 72' ' ' ILE . 23.2 t -86.43 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.635 ' CE1' ' CG2' ' A' ' 62' ' ' ILE . 17.6 t80 -84.66 -18.34 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.09 -53.61 39.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.03 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.809 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.491 ' CD1' HD13 ' A' ' 62' ' ' ILE . 2.4 pp -85.44 39.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -86.31 -52.76 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -62.51 -44.73 95.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 14' ' ' VAL . 35.5 t80 -61.93 -60.26 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.635 ' CG2' ' CE1' ' A' ' 55' ' ' TYR . 2.2 tt -54.91 -29.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 62' ' ' ILE . . . -63.31 -49.67 73.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -33.12 74.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -78.89 -17.7 55.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ASN . 64.0 ttt-85 -34.32 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.0 pt -38.24 -39.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' ARG . 18.0 m-70 -102.07 -143.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.653 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.26 64.45 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 12.4 m -94.84 89.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.439 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 7.9 m -73.52 168.97 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.489 HG21 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -153.91 121.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -144.94 129.49 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.45 117.22 24.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.0 m-85 -149.17 178.5 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.494 ' HB ' ' HD2' ' A' ' 77' ' ' PRO . 1.3 p -83.99 -179.0 1.3 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.494 ' HD2' ' HB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.54 -20.3 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.3 -31.92 70.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.624 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.64 -72.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.44 -51.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -38.92 85.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -67.34 -43.19 82.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -75.32 -20.48 59.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.5 -17.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.8 mt -80.54 -166.89 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -105.38 13.05 30.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.45 -34.63 7.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 13.0 m-85 -121.57 -0.88 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.4 tt -140.18 13.6 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.652 ' C ' ' O ' ' A' ' 90' ' ' LEU . 12.1 mt-10 13.67 93.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -98.58 174.89 6.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.549 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -59.83 145.71 44.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.639 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 143.33 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.619 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -44.13 -56.33 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -43.47 107.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.595 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.502 0.191 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -174.79 -179.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.77 134.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.13 108.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.51 41.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.46 84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -83.83 -141.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 12.4 t30 77.36 1.64 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.2 t-20 -84.88 -32.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' C ' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.38 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 pt -40.39 -29.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 10' ' ' GLU . 4.1 tt0 -79.15 -69.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 7.8 t -43.56 -27.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.88 -50.12 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' HG12 ' A' ' 35' ' ' VAL . 43.4 tp -56.75 -31.92 65.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.92 -34.15 21.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 6.5 m-20 -66.92 -33.8 76.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -75.4 -53.17 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -177.49 111.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.82 -150.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 175.0 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 3.3 tt0 170.43 -62.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -124.3 171.94 9.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.445 HG23 ' CG ' ' A' ' 12' ' ' GLN . 17.3 m -138.62 159.03 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' CE1' HG23 ' A' ' 38' ' ' VAL . 30.0 m80 -143.95 111.21 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -104.64 74.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 7.3 m -89.36 170.3 10.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.25 -159.79 31.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -127.45 -62.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.11 -43.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' CE2' ' A' ' 33' ' ' PHE . 5.6 m -97.47 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.459 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 2.5 p80 -97.47 138.3 35.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 31' ' ' SER . 0.6 OUTLIER -136.44 137.68 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.438 ' OE1' ' CZ2' ' A' ' 80' ' ' TRP . 3.8 tm0? -95.6 116.0 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 46.7 t -100.5 92.71 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -94.65 128.23 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -94.46 113.64 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 25' ' ' HIS . 87.0 t -86.07 155.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 160.81 -117.13 0.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -178.74 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 57.4 tp -40.08 -53.23 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 6.4 m-30 -90.26 36.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 40' ' ' GLU . 23.7 t70 -91.26 69.14 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.1 -18.28 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.5 ttm -52.25 150.32 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.3 t -72.51 119.23 16.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 ttp-105 -36.82 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.8 t -73.65 -57.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -59.74 -37.29 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -62.83 -72.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 5.5 mm-40 -52.61 -19.57 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 41.4 tt0 -74.38 -46.66 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.404 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -83.28 -19.97 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.471 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 38.7 t -86.35 -46.92 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 11.6 t80 -85.76 -20.24 29.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.14 -52.52 46.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.5 Cg_endo -74.97 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.3 pp -87.65 38.07 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -83.89 -39.38 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 8.5 mm-40 -70.82 -65.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.07 -44.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -68.78 -47.43 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.67 -45.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -37.79 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -60.02 -16.8 33.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -31.06 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG22 ' CG ' ' A' ' 68' ' ' HIS . 14.9 tt -36.96 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.52 ' CG ' HG22 ' A' ' 67' ' ' ILE . 13.9 m170 -121.5 -146.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -146.51 84.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.7 m -104.85 92.76 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.9 m -75.8 155.49 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -144.09 120.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -145.14 122.23 11.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' CB ' ' HD3' ' A' ' 50' ' ' LYS . . . -82.83 107.37 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 8.4 m-85 -134.99 -178.05 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.46 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -85.71 -179.78 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -37.41 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.82 -23.68 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 5.8 tp10 -61.95 -30.95 71.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.579 ' CD2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.67 -76.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.85 -49.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' O ' HD23 ' A' ' 86' ' ' LEU . 18.9 ttt180 -58.58 -40.82 84.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 80' ' ' TRP . 12.9 m-20 -68.54 -42.43 78.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HD2' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -70.95 -27.82 64.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.36 -18.63 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -106.93 -167.53 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.29 -5.83 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -46.95 -50.7 14.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 18.6 t80 -116.85 -19.54 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.5 tp -91.05 -12.54 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 90' ' ' LEU . 11.5 mt-10 33.17 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -91.13 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.7 143.25 12.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.46 168.35 19.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 66.13 155.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -130.12 169.43 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.565 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.444 0.164 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 3' ' ' GLU . 68.1 mt -146.39 167.1 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 9.4 mt-10 72.57 130.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.47 70.25 46.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 94.47 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 179.52 67.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -88.62 -151.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.01 -34.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' GLN . 1.3 t30 -55.73 -19.22 10.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -45.7 -44.12 13.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pt -61.93 -33.0 55.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . 20.7 mt-30 -76.83 -60.38 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 t -50.92 -28.22 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 10' ' ' GLU . 42.1 t -80.75 -41.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' CG1' ' A' ' 35' ' ' VAL . 5.6 tp -59.32 -34.75 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.0 mtt -83.59 -37.9 22.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.84 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 19' ' ' LEU . . . -75.33 -39.98 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 1.3 tp 174.42 118.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -84.96 -149.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.8 OUTLIER 176.88 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 170.73 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -129.29 174.76 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.24 159.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.476 ' CE1' HG22 ' A' ' 38' ' ' VAL . 19.6 m80 -143.86 128.33 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 t -121.13 93.31 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.0 115.17 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.575 ' HA3' ' CD2' ' A' ' 33' ' ' PHE . . . -137.22 -147.65 5.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.82 -59.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' CE1' ' A' ' 33' ' ' PHE . . . -163.97 -41.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -113.6 -38.17 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.562 ' C ' ' CD1' ' A' ' 33' ' ' PHE . 30.7 p-80 -107.74 133.82 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CD2' ' HA3' ' A' ' 28' ' ' GLY . 4.6 m-85 -143.44 142.28 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -97.81 124.28 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.441 ' CG1' HD22 ' A' ' 15' ' ' LEU . 10.1 t -103.35 95.1 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.602 HG22 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.97 129.45 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.28 101.26 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 25' ' ' HIS . 80.4 t -76.69 146.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.09 -119.66 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' ASP . 2.1 mt-10 -178.02 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -41.15 -52.13 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -90.1 33.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' GLU . 31.1 t0 -84.05 68.19 9.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.61 -18.02 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.96 150.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ARG . 29.5 t -74.39 126.12 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.8 tmm_? -37.94 -37.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.39 -68.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -35.38 4.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' HD2' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -63.47 -73.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 11.2 mt-30 -52.34 -18.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -71.59 -51.44 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.439 ' O ' ' CD ' ' A' ' 57' ' ' PRO . 0.6 OUTLIER -83.68 -18.58 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 24.2 t -85.36 -48.78 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CB ' ' O ' ' A' ' 51' ' ' GLN . 8.9 t80 -86.06 -19.53 30.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.32 -53.03 43.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.0 -50.95 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.1 pp -87.62 39.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.555 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.02 -39.86 17.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.48 -66.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -38.23 -49.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CD1' HD13 ' A' ' 58' ' ' LEU . 1.1 mp -66.0 -43.27 92.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.63 -49.1 7.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -38.46 65.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -59.06 -17.33 24.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm180 -33.33 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.2 pt -38.85 -30.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 67' ' ' ILE . 4.8 m170 -118.64 -145.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.576 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 32' ' ' HIS . . . -147.28 76.9 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 18.7 m -102.24 93.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 73.4 m -77.73 161.6 27.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -146.19 123.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -144.28 117.81 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.468 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -76.89 114.36 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 9.3 m-85 -144.24 -177.95 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.89 -178.69 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.08 -38.1 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.94 -23.08 36.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.52 -35.81 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.602 ' CD1' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.4 -24.19 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 85' ' ' LYS . . . -84.57 -44.6 13.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.622 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . 2.6 ttt180 -68.95 -21.45 64.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 14.1 m-20 -87.82 -49.66 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.555 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -71.47 -28.26 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 81' ' ' ALA . 1.5 pttp -84.5 -15.7 45.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 4.2 mt -76.92 -160.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . 45.0 p-10 -111.83 18.41 18.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.19 -33.2 4.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.6 m-85 -118.1 0.06 11.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 91' ' ' GLU . 2.4 tt -140.8 14.24 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER 47.19 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' ASN . 4.0 t-160 -175.54 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.545 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.41 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 57.14 -167.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.624 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 64.32 125.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.9 172.09 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.494 0.188 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.56 -63.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' CG ' ' N ' ' A' ' 4' ' ' ASP . 1.6 pt-20 -156.81 -145.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -162.38 94.12 1.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 100.76 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER 172.73 39.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 9' ' ' ASN . 2.7 mm-40 59.09 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' MET . 11.9 p30 42.72 27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 7' ' ' GLU . 13.6 t-20 -87.95 -74.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' GLN . 6.5 tt0 -42.66 -67.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.486 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -36.98 -33.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.468 ' HG3' ' CG2' ' A' ' 24' ' ' VAL . 1.7 tt0 -78.16 -57.73 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 t -49.37 -37.15 23.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG22 ' CZ ' ' A' ' 61' ' ' TYR . 76.4 t -76.18 -41.23 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' LEU . 19.9 tp -57.75 -43.1 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -40.94 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -58.3 -33.48 69.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.22 -52.12 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 119.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -87.95 -151.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.574 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 175.26 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 1.2 tp60 171.56 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.33 177.62 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 12' ' ' GLN . 6.0 m -139.35 164.53 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' CE1' HG21 ' A' ' 38' ' ' VAL . 22.0 m80 -148.18 133.88 18.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.56 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 8' ' ' ASN . 31.4 m -127.49 96.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -107.83 133.95 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.5 -137.19 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -127.08 -90.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -160.91 69.37 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.6 m 155.14 -57.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.457 ' HB2' ' CB ' ' A' ' 69' ' ' ALA . 1.1 t-80 -113.3 92.88 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CE1' HG12 ' A' ' 70' ' ' VAL . 2.2 p90 -135.13 165.24 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.27 133.1 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 56.1 t -111.02 99.87 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.603 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.3 138.45 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 75' ' ' TYR . . . -99.54 103.95 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG21 ' CE1' ' A' ' 25' ' ' HIS . 75.3 t -78.56 148.2 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.487 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.03 -118.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -176.64 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 66.7 tp -37.47 -57.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 m-85 -89.29 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' GLU . 14.2 t70 -93.6 70.76 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.1 -20.22 1.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 ttm -51.74 147.46 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 0.812 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.9 t -71.23 132.02 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' SER . 12.2 ttp85 -34.35 -66.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -48.1 -73.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -38.1 -32.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HE2' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -71.39 -75.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -40.83 -38.19 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.7 tt0 -67.06 -68.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -49.42 -22.1 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.539 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 59.2 t -87.48 -32.21 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 5.5 t80 -84.71 -17.14 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -59.66 -53.18 48.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' A' ' 59' ' ' MET . 18.4 Cg_endo -74.99 -73.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -69.57 38.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.608 ' H ' ' C ' ' A' ' 57' ' ' PRO . 2.6 tmm? -72.86 -45.98 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.94 -56.09 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.53 ' CZ ' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -46.94 -28.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -75.92 -59.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.95 -37.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ARG . 24.9 m-20 -85.91 -41.17 15.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.9 t-20 -39.58 -32.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' ASN . 4.3 tpt85 -30.02 -41.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.566 HD11 ' CE1' ' A' ' 68' ' ' HIS . 23.2 pt -41.55 -44.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.566 ' CE1' HD11 ' A' ' 67' ' ' ILE . 1.6 m170 -113.05 -144.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.457 ' CB ' ' HB2' ' A' ' 32' ' ' HIS . . . -153.68 70.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 2.3 m -106.57 95.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 m -71.54 160.24 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CG2' HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -136.76 122.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.94 116.87 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' O ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.63 112.1 17.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.565 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 17.1 m-85 -146.82 -178.55 6.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.54 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -88.58 -175.6 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.428 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.16 -27.9 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 2.2 tt0 -55.69 -30.31 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.603 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -55.87 -58.62 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.0 ttt85 -58.96 -46.45 88.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.442 ' OD1' ' CG ' ' A' ' 79' ' ' GLU . 4.3 m-20 -57.19 -43.61 82.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -74.68 -26.86 60.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -85.59 -16.14 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -76.65 -163.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 91' ' ' GLU . 0.5 OUTLIER -114.13 24.46 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.8 -30.74 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -123.42 2.83 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 84' ' ' ARG . 1.3 tt -138.0 13.15 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 177.39 55.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -93.67 77.99 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -164.22 115.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -174.23 -62.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.64 38.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.581 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -96.18 139.02 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mm 67.75 150.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 176.02 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.18 149.85 52.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -179.6 47.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 65.71 -71.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER 66.75 -58.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 38.3 t-20 -36.14 -35.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' ASN . 4.3 mt-10 -60.59 -68.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.583 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 1.6 mp -57.16 -22.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -76.06 -38.46 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -65.93 -42.2 90.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 5.2 m -76.23 -34.56 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' ILE . 6.6 tp -67.24 -38.02 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.86 -42.4 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.83 -41.88 74.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 57' ' ' PRO . . . -71.07 -44.63 65.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.562 HD13 ' CZ ' ' A' ' 42' ' ' PHE . 1.1 pp 177.18 121.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -102.2 106.88 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' CD1' ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -67.38 -33.34 75.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.3 mm-40 157.4 -69.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.0 mt-10 -107.53 170.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -132.36 149.83 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.583 ' CE1' HG22 ' A' ' 38' ' ' VAL . 34.8 m80 -141.41 128.56 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.0 m -128.33 94.38 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.57 111.97 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.25 -151.26 6.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 166.11 113.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.83 -50.4 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.41 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.998 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.492 ' HB2' ' CB ' ' A' ' 69' ' ' ALA . 1.1 t-80 -80.81 98.42 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CZ ' ' CG1' ' A' ' 70' ' ' VAL . 15.4 p90 -126.23 152.66 45.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 36' ' ' ILE . 5.6 tm0? -99.85 124.26 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG23 ' CG2' ' A' ' 11' ' ' ILE . 4.4 t -102.93 91.6 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.64 ' CG2' ' CD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -99.41 127.06 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.84 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG22 ' CE1' ' A' ' 25' ' ' HIS . 5.1 t -82.59 157.17 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.67 -106.0 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.9 mt-10 164.71 -24.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' GLU . 32.8 tp -37.54 -53.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.631 ' CD1' ' CD1' ' A' ' 21' ' ' LEU . 3.5 m-85 -87.46 40.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' GLU . 54.6 p-10 -91.92 10.51 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.27 15.87 1.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.29 163.67 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.7 t -94.41 126.81 39.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' SER . 16.7 ttm105 -34.43 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 65.5 t -75.46 -75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -29.92 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HD3' ' CB ' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.6 mt-30 -75.18 -17.96 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.9 mt-30 -84.78 -38.06 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -82.68 -24.9 33.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.501 HG21 ' CD1' ' A' ' 19' ' ' LEU . 14.0 t -86.28 -47.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.3 t80 -83.5 -22.93 32.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 59' ' ' MET . . . -49.74 -54.41 17.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 2.3 pp -84.51 39.26 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.73 -48.11 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -68.55 -65.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 t80 -36.08 -47.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' A' ' 58' ' ' LEU . 1.3 mp -71.95 -48.33 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.31 -36.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -44.69 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -56.29 -17.7 8.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -33.8 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.56 HG23 ' CE1' ' A' ' 68' ' ' HIS . 11.0 tt -38.69 -32.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 67' ' ' ILE . 12.9 m80 -114.54 -147.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.492 ' CB ' ' HB2' ' A' ' 32' ' ' HIS . . . -140.6 81.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.618 ' CG1' ' CZ ' ' A' ' 33' ' ' PHE . 3.0 m -108.66 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 m -77.44 152.47 34.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.486 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -139.17 118.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptp? -141.31 142.6 33.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 50' ' ' LYS . . . -104.95 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 18.6 m-85 -141.47 -179.03 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.544 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -87.94 -175.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.9 -38.3 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.99 -32.05 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 22.1 tt0 -51.17 -38.5 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.64 ' CD1' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -53.6 -72.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.26 -39.49 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 16.4 ttt85 -59.82 -34.58 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -85.23 -51.38 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -62.06 -30.47 71.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.8 ptmm? -86.87 -15.79 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.5 mt -75.18 -158.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.21 17.6 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.79 -33.68 4.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 83' ' ' ASP . 6.4 m-85 -112.85 -0.69 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.443 ' O ' ' CD2' ' A' ' 90' ' ' LEU . 2.6 tt -142.91 15.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 50.57 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.491 ' CG ' ' N ' ' A' ' 93' ' ' HIS . 4.5 p80 -83.38 -52.45 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.491 ' N ' ' CG ' ' A' ' 92' ' ' HIS . 0.3 OUTLIER 64.64 149.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.603 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -63.96 99.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.64 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -103.13 114.29 28.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -68.49 91.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -53.38 44.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CG2' ' A' ' 35' ' ' VAL . 5.8 pt -66.87 -23.15 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.517 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.22 -40.27 52.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.2 t -71.37 -36.73 71.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.59 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.3 tp -68.28 -39.93 81.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -40.93 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 29.7 m-20 -67.49 -38.41 84.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.86 -54.76 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -176.72 112.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -75.43 -152.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 172.74 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 173.67 -62.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -123.35 174.94 7.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 12' ' ' GLN . 21.6 m -138.21 154.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 34.1 m80 -143.33 102.14 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.2 m -98.87 73.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.706 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 8.3 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.25 136.2 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.511 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -94.71 127.75 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.774 ' CG2' HD12 ' A' ' 11' ' ' ILE . 53.2 t -108.82 92.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.893 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.65 127.57 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.761 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -93.69 117.51 30.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 43.0 t -88.82 149.58 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.28 -111.73 0.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 mt-10 178.24 -32.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.8 tp -38.79 -58.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 8.1 m-85 -84.85 38.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 13.9 t0 -98.45 70.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.7 -21.17 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 164.36 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -82.48 134.8 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -47.03 -33.98 5.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.87 -60.97 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -32.86 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.863 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 4.5 ttpt -70.08 -76.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -42.39 -32.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' TYR . 30.9 tt0 -66.01 -75.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 m -51.94 -19.94 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.9 t -84.18 -32.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 14.0 t80 -85.81 -23.75 27.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -48.89 -52.83 20.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.802 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.96 -53.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.8 39.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.579 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.02 -43.77 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.92 -62.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -38.86 -47.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -67.57 -49.18 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -81.45 -41.6 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -56.55 -17.97 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm-85 -32.17 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.0 pt -37.67 -32.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 m-70 -122.23 -147.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.706 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.98 87.89 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' VAL . 14.7 m -102.46 91.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -73.27 161.68 30.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -151.51 138.84 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -161.53 120.84 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -84.62 106.99 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 73' ' ' LYS . 14.7 m-85 -135.62 -179.75 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.492 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -84.02 -177.73 1.03 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.98 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.08 -25.46 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.77 -27.22 68.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.893 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.16 -75.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.22 -54.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -56.21 -40.47 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' TRP . 5.7 m-20 -67.64 -45.04 76.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.82 -16.76 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 4.9 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 12' ' ' GLN . 28.8 tt0 -39.4 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.602 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -41.42 -29.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 t -58.98 -27.46 65.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -79.19 -38.52 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 37' ' ' ALA . 23.8 tp -58.02 -45.46 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -44.55 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -51.0 -30.49 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.913 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.78 -40.33 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -165.03 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 176.61 -161.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER 176.1 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 5.6 mt-30 154.93 -70.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 2.1 mt-10 -115.1 171.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.425 HG21 ' HG3' ' A' ' 12' ' ' GLN . 1.7 m -126.77 151.12 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.81 99.61 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.4 p -105.78 93.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.767 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 17.4 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -131.48 160.07 36.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -102.17 135.21 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG21 ' HB ' ' A' ' 11' ' ' ILE . 65.0 t -109.73 98.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.838 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.01 121.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.07 106.86 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 74.6 t -76.86 150.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 153.71 -138.11 6.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -159.11 19.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 23.7 tp -73.66 -68.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 18.9 m-85 -87.74 38.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.24 68.24 8.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.69 -19.54 1.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 165.8 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' VAL . 26.4 t -83.19 122.01 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 13.5 ttm180 -37.18 -31.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 75.1 t -75.5 -57.47 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -32.61 70.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.3 ttpp -70.7 -76.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.8 tm0? -45.45 -33.13 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 51.4 tt0 -64.87 -73.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.33 -20.37 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.594 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 37.1 t -83.37 -34.92 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 10.2 t80 -85.29 -21.88 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -49.61 -53.1 22.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.913 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.4 pp -86.76 38.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.576 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.48 -45.62 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' ALA . 3.0 mt-10 -74.33 -60.97 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -39.35 -44.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 58' ' ' LEU . 1.7 mp -73.7 -43.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.25 -41.53 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.55 -39.84 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -54.5 -19.22 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -34.04 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' ASN . 28.8 pt -39.45 -37.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.86 -146.33 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.767 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -150.66 78.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.9 m -109.67 95.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 156.3 35.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.594 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -136.66 114.83 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.684 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 13.2 mmtm -139.17 124.9 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.68 117.65 24.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 15.2 m-85 -156.01 -178.63 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.51 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -89.97 -176.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.39 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.06 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 2.7 tp10 -58.21 -31.03 66.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.838 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.33 -75.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.24 -49.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -59.12 -40.24 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.79 -46.49 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.23 -23.11 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.31 -17.12 35.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 86' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -75.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -20.75 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.917 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.44 -34.86 58.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -74.63 -36.52 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.08 HG11 ' CD2' ' A' ' 61' ' ' TYR . 85.9 t -76.48 -33.28 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.9 tp -69.41 -41.73 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 mtt -76.71 -47.09 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -56.21 -39.1 71.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.88 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 54' ' ' VAL . 2.5 pt? -175.1 115.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -148.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 178.78 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.589 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.98 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -127.83 176.22 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.917 HG21 ' CG ' ' A' ' 12' ' ' GLN . 25.8 m -139.99 161.6 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.915 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.0 m170 -146.02 117.87 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.431 HG12 HG22 ' A' ' 35' ' ' VAL . 2.9 m -114.53 91.99 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.817 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 10.5 p-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 6.7 p90 -142.0 151.97 42.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -99.94 128.32 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.888 ' HB ' HD12 ' A' ' 72' ' ' ILE . 36.8 t -106.24 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.972 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.36 130.88 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.28 105.79 17.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 25' ' ' HIS . 61.4 t -81.53 145.54 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.787 ' HA3' HD23 ' A' ' 21' ' ' LEU . . . 167.75 -150.01 15.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.35 16.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 42' ' ' PHE . 2.3 tm? -86.77 -46.45 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD12 ' A' ' 41' ' ' LEU . 19.0 m-85 -97.28 28.83 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -81.49 66.39 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.2 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.09 166.03 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 t -83.14 124.73 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.7 ttp180 -36.41 -34.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 36.0 t -76.73 -71.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -31.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 ttpm? -74.01 -52.31 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.4 mt-30 -66.3 -17.22 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.3 mt-30 -83.55 -43.48 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.448 HG23 ' CD1' ' A' ' 19' ' ' LEU . 4.3 t -82.41 -21.95 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 19' ' ' LEU . 38.1 t -86.71 -48.18 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.6 t80 -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -56.18 -53.23 44.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.0 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.8 pp -85.66 40.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.56 -40.85 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.0 mt-10 -69.56 -61.34 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 1.08 ' CD2' HG11 ' A' ' 14' ' ' VAL . 37.0 t80 -41.96 -44.18 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -71.06 -38.72 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -54.57 -34.46 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -46.45 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -58.17 -16.98 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 65' ' ' ASN . 5.5 ttt85 -32.87 -35.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 30.3 pt -38.6 -31.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.458 ' N ' ' C ' ' A' ' 66' ' ' ARG . 5.1 m170 -118.04 -146.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.817 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -137.97 87.96 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -111.57 105.12 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 19.0 m -94.54 155.83 16.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.888 HD12 ' HB ' ' A' ' 35' ' ' VAL . 2.3 tp -138.67 116.63 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 8.5 mttt -136.32 109.66 7.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.706 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -74.89 111.91 10.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.5 m-85 -145.26 -178.2 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.72 -176.48 0.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.22 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 5.8 tt0 -61.09 -27.81 68.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.972 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.41 -74.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.022 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.5 -52.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.6 ttm180 -61.04 -41.85 97.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -61.65 -47.6 84.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -85.83 -15.96 40.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 m120 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -61.29 -73.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.13 -31.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.891 ' HG2' HG21 ' A' ' 24' ' ' VAL . 1.3 mt-30 -72.21 -39.26 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' GLU . 22.9 t -68.45 -39.65 81.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -74.79 -28.64 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.9 tp -74.11 -32.47 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -42.62 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.47 -43.31 97.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.712 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -60.13 -61.12 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.602 HD13 ' HZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 108.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.57 -149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.591 HD21 ' H ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 172.59 -46.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 9.9 tp60 173.26 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -127.04 177.51 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HG2' ' A' ' 12' ' ' GLN . 11.6 m -143.23 161.38 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.64 ' CE1' HG21 ' A' ' 38' ' ' VAL . 14.8 m80 -141.16 114.51 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.97 80.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.705 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 12.3 p-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 32' ' ' HIS . 2.3 m-85 -125.61 141.83 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.635 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 32.9 tp60 -89.13 116.38 27.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 70' ' ' VAL . 2.4 t -102.48 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.934 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.45 150.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -112.51 102.72 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 25' ' ' HIS . 77.9 t -79.5 148.89 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.49 -118.72 0.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 tt0 -172.14 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 30.0 tp -36.82 -62.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' HZ ' HD13 ' A' ' 19' ' ' LEU . 9.0 m-30 -85.58 42.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 62.0 t0 -97.1 66.16 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.85 -15.32 1.76 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.489 ' HE1' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tpp -55.71 145.8 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.5 t -66.16 119.53 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -38.53 -32.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 10.0 p -71.84 -53.24 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.9 tmtm? -65.68 -35.15 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.852 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.9 ttpm? -66.87 -75.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 6.4 mt-30 -45.35 -34.0 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 25.9 tt0 -63.0 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 19' ' ' LEU . 1.2 m -52.29 -19.72 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.1 t -84.74 -30.01 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' MET . 14.1 t80 -85.48 -30.15 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -44.64 -53.55 7.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.712 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.885 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.9 pp -84.6 39.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.36 -50.45 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 61' ' ' TYR . 22.1 pt-20 -73.7 -52.87 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CG ' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -43.96 -43.99 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASN . 1.0 OUTLIER -72.62 -47.97 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -40.05 -42.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.29 -36.33 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 7.7 t-20 -57.75 -17.06 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' ASN . 34.3 ttt85 -32.34 -35.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.1 pt -37.17 -40.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 67' ' ' ILE . 1.8 m-70 -116.22 -145.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.705 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -149.83 92.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -110.83 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 3.6 m -80.57 148.76 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -131.36 113.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -142.15 109.38 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.852 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.1 112.83 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.1 m-85 -142.5 -177.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.479 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -85.59 -178.56 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.87 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.62 -26.14 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.69 -28.04 65.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.934 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.05 -74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -37.98 -52.51 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -41.6 88.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -65.09 -47.1 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -24.61 64.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.05 -16.29 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 86' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -50.6 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.855 ' CG2' HG21 ' A' ' 35' ' ' VAL . 8.7 mt -68.32 -24.92 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.865 ' CD ' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -76.45 -37.18 57.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.3 t -72.3 -35.69 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.035 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.723 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -75.44 -34.47 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 ' CG1' ' A' ' 35' ' ' VAL . 8.9 tp -68.67 -40.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -42.57 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 13' ' ' SER . 17.5 m-20 -59.65 -41.84 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.99 -42.65 94.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 171.82 121.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -79.46 -152.6 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 42' ' ' PHE . 1.9 tp 175.48 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.3 mm-40 156.8 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -125.27 167.6 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.865 HG21 ' CD ' ' A' ' 12' ' ' GLN . 33.0 m -127.43 150.18 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -138.5 113.33 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.4 m -116.41 91.49 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 1.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 18.1 p80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -119.81 138.24 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.732 ' NE2' ' CH2' ' A' ' 80' ' ' TRP . 2.9 tt0 -94.72 144.83 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.918 ' CG1' HD22 ' A' ' 15' ' ' LEU . 59.2 t -114.12 84.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.903 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -86.55 119.16 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.74 110.28 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 55.9 t -77.26 157.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 147.91 -109.39 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 164.86 -22.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -43.2 -47.53 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.808 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.1 m-85 -89.04 27.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLU . 3.4 p-10 -96.48 13.35 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.66 0.59 5.88 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 tpp -109.58 151.15 27.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -65.87 149.0 50.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -57.48 -31.96 66.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 t -71.18 -65.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -32.06 36.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.2 ttmm -77.26 -29.93 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.88 -39.72 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.54 -30.43 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -81.19 -29.29 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 50' ' ' LYS . 51.6 t -86.68 -42.24 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 62' ' ' ILE . 12.4 t80 -84.97 -19.6 31.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.88 -53.44 39.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.97 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.98 -51.75 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.892 ' CD1' HD12 ' A' ' 62' ' ' ILE . 2.2 pp -86.34 39.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.22 -42.71 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -70.74 -68.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.723 ' CG ' HG21 ' A' ' 14' ' ' VAL . 22.7 t80 -36.47 -48.97 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CD1' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.69 -46.88 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.89 -43.34 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -43.93 63.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -57.75 -17.52 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' ASN . 22.4 ttt180 -31.69 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 17.4 pt -36.62 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.8 m-70 -119.78 -145.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.709 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -138.32 85.01 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 65' ' ' ASN . 5.5 m -103.5 91.46 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.32 164.77 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -155.81 133.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -164.9 118.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -78.84 105.44 10.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.8 m-85 -135.92 -178.34 5.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -83.37 -178.66 1.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.5 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.26 -28.69 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 7.3 tp10 -52.78 -37.4 59.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.903 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.27 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.22 -51.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -57.07 -39.93 75.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -69.39 -45.39 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -19.92 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.56 -17.67 33.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.5 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -67.21 -45.31 77.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.796 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -65.04 -32.46 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HG21 ' A' ' 24' ' ' VAL . 14.0 mt-30 -74.92 -40.83 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 13.9 t -68.73 -28.59 66.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 70.6 t -77.99 -42.67 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 37' ' ' ALA . 10.3 tp -59.42 -43.19 93.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' LEU . 22.5 mtt -78.17 -41.29 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 13' ' ' SER . 31.6 m-20 -54.76 -32.54 60.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -84.38 -50.91 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -147.49 -119.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 1.4 m 158.42 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -169.68 -42.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.2 mt-30 157.24 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' HG12 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.43 174.33 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG21 ' CD ' ' A' ' 12' ' ' GLN . 16.1 m -134.88 151.29 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.66 ' CE1' HG21 ' A' ' 38' ' ' VAL . 36.2 m80 -141.54 108.59 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.931 HG12 HG22 ' A' ' 35' ' ' VAL . 28.7 m -106.39 96.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 31.9 p-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.88 ' CE1' HG12 ' A' ' 70' ' ' VAL . 18.3 p90 -136.56 155.85 49.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -103.03 142.32 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.931 HG22 HG12 ' A' ' 26' ' ' VAL . 89.9 t -114.77 99.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.939 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.69 127.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.718 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -88.53 102.63 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.66 HG21 ' CE1' ' A' ' 25' ' ' HIS . 3.4 t -75.75 151.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.14 -100.36 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 2.7 mt-10 163.14 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 42' ' ' PHE . 7.4 tp -35.12 -64.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -88.62 42.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 32.8 p-10 -87.48 11.1 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.41 13.49 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 42' ' ' PHE . 1.2 ttm -91.39 164.56 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 48' ' ' VAL . 46.6 t -90.84 127.23 36.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.6 tmm_? -36.45 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' SER . 99.2 t -75.69 -72.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -45.37 -36.44 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HZ2' ' N ' ' A' ' 51' ' ' GLN . 4.4 ttpp -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -59.56 -18.53 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -74.19 -47.96 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -19.0 34.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 19' ' ' LEU . 3.4 t -86.47 -47.14 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 62' ' ' ILE . 10.9 t80 -86.59 -21.4 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.76 -50.32 58.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.02 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.79 38.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.31 -39.52 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 20.8 tt0 -67.76 -69.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 14' ' ' VAL . 27.6 t80 -38.31 -51.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -60.39 -44.02 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -49.66 -43.6 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.62 -23.44 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.47 -16.54 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' A' ' 65' ' ' ASN . 7.5 ttt180 -31.34 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.1 mm -37.57 -32.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.1 m170 -124.42 -166.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -121.03 84.58 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.88 HG12 ' CE1' ' A' ' 33' ' ' PHE . 3.0 m -106.65 92.75 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 5.6 m -82.44 161.63 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.556 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -152.05 130.71 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -155.14 122.67 5.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . . . -78.97 115.38 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 m-85 -145.38 -178.08 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -86.16 -178.39 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.34 36.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 4.1 tp10 -53.9 -35.73 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.939 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.91 -41.38 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' ' HE2' ' A' ' 85' ' ' LYS . . . -58.74 -58.67 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -57.19 -48.73 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.02 -45.17 75.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.35 -24.07 59.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -85.95 -16.51 38.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' ARG . 4.0 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -58.24 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.88 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -59.84 -31.74 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.94 -35.3 66.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 t -69.42 -37.03 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.66 -33.74 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 37' ' ' ALA . 1.3 tp -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mtt -76.55 -41.34 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -58.87 -40.6 84.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.869 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -70.77 -40.17 72.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.85 HD23 ' HZ ' ' A' ' 42' ' ' PHE . 2.0 tp 177.83 110.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 2.6 m -75.15 -151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER 175.63 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER 158.6 -66.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.5 mt-10 -117.02 173.05 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.02 160.05 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.634 ' CE1' HG21 ' A' ' 38' ' ' VAL . 15.2 m80 -140.73 134.23 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.41 80.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 29.4 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 6.6 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -148.97 139.99 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -91.34 141.47 28.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.88 HG21 ' CG2' ' A' ' 11' ' ' ILE . 47.3 t -113.58 95.64 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -91.97 142.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -102.39 102.5 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.634 HG21 ' CE1' ' A' ' 25' ' ' HIS . 95.8 t -79.73 146.38 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 165.4 -110.71 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.1 mt-10 178.12 -31.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.6 tp -40.32 -49.39 2.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.85 ' HZ ' HD23 ' A' ' 19' ' ' LEU . 12.6 m-85 -85.19 35.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . 13.8 t70 -96.7 72.22 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.26 -20.97 1.08 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.9 ttm -65.19 152.5 43.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' VAL . 6.6 t -74.12 122.22 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.485 ' HG3' ' HZ1' ' A' ' 50' ' ' LYS . 42.3 ttp180 -37.28 -33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' SER . 77.5 t -75.26 -70.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.11 -35.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.749 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 5.9 ttpt -69.43 -75.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 3.5 tm0? -38.54 -34.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.9 tt0 -65.39 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -51.2 -20.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 22.2 t -84.6 -31.33 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 8.1 t80 -85.48 -34.77 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -42.21 -52.61 5.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.869 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.01 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pp -84.23 40.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.58 -40.75 15.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -73.34 -66.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -37.12 -44.04 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -71.86 -46.67 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.49 -40.39 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -40.41 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ILE . 11.3 t-20 -55.41 -19.14 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.2 ptm180 -35.99 -32.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASN . 16.3 pt -41.74 -37.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -113.51 -147.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.645 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -141.46 89.01 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 70' ' ' VAL . 20.0 m -112.5 98.32 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.822 ' O ' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -72.16 163.43 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -154.55 123.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -161.72 120.04 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.749 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -80.57 118.28 22.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 20.5 m-85 -145.03 -178.42 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -84.34 -177.26 0.92 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -40.26 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -79.11 -30.97 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.545 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -50.81 -33.86 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.944 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.32 -37.68 74.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CE ' ' A' ' 85' ' ' LYS . . . -59.8 -53.04 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 86' ' ' LEU . 4.0 ttt85 -67.92 -51.83 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 m-20 -48.27 -44.75 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -76.09 -27.86 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -75.89 -18.41 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 83' ' ' ASP . 2.9 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -63.67 -53.11 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.879 HG22 HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.49 -19.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.74 ' HG2' HG21 ' A' ' 24' ' ' VAL . 6.7 mt-30 -80.77 -38.08 29.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 8.2 t -71.34 -35.06 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' CE2' ' A' ' 61' ' ' TYR . 23.5 m -76.19 -44.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 tp -57.4 -45.59 84.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -75.21 -40.38 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.6 m-20 -52.41 -34.79 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.863 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -73.21 -50.0 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 ' HE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -154.38 -110.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 3.0 m 145.71 154.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -133.75 -44.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 163.53 -72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.91 176.32 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 12' ' ' GLN . 3.5 m -135.53 154.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.6 m80 -143.97 107.81 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.921 HG12 HG22 ' A' ' 35' ' ' VAL . 16.9 m -105.38 92.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 38.8 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE1' HG12 ' A' ' 70' ' ' VAL . 6.2 p90 -145.47 165.9 27.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 1.3 tm0? -116.38 126.65 53.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.921 HG22 HG12 ' A' ' 26' ' ' VAL . 29.5 t -102.48 104.28 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.93 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -98.3 131.34 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.45 103.34 15.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG21 ' CE1' ' A' ' 25' ' ' HIS . 22.1 t -77.06 155.02 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 157.06 -100.63 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.8 mt-10 164.06 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' GLU . 22.9 tp -36.78 -60.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.735 ' HE2' HD22 ' A' ' 19' ' ' LEU . 12.0 m-85 -90.56 39.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' GLU . 39.6 p-10 -81.88 71.38 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.36 -18.54 2.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.9 tpp -53.12 147.58 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' VAL . 12.9 t -67.57 118.83 11.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.0 ttp85 -38.37 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' SER . 73.8 t -74.5 -54.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -62.05 -39.2 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.3 ttmt -59.04 -62.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.572 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -62.48 -19.1 63.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.34 -47.65 48.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.699 HG22 HD23 ' A' ' 19' ' ' LEU . 1.2 m -85.25 -19.93 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 96.3 t -84.46 -46.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' HE1' HG21 ' A' ' 62' ' ' ILE . 3.5 t80 -85.34 -34.29 21.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -41.36 -51.03 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.863 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.05 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 62' ' ' ILE . 1.9 pp -84.31 40.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -87.56 -40.75 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 111.006 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.26 -69.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.607 ' CE2' HG11 ' A' ' 14' ' ' VAL . 69.3 t80 -38.29 -40.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 58' ' ' LEU . 23.0 mm -71.42 -48.12 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.75 -40.07 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.75 -41.03 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -58.46 -17.65 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ASN . 17.9 ttt85 -33.61 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.5 pt -39.13 -30.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.6 m-70 -119.43 -146.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.575 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.915 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -138.33 101.24 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.669 HG23 HD12 ' A' ' 62' ' ' ILE . 10.7 m -127.5 99.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 2.5 m -100.13 118.17 35.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -106.7 126.97 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.3 mtpt -146.84 131.73 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB3' ' CD ' ' A' ' 50' ' ' LYS . . . -86.26 125.77 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.592 ' CE1' ' NZ ' ' A' ' 50' ' ' LYS . 12.0 m-85 -158.01 -177.99 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -89.98 -176.72 0.68 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.25 -30.1 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -54.24 -31.58 53.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.93 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.87 -42.73 85.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 107.984 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -59.06 -59.08 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 86' ' ' LEU . 7.5 ttt-85 -58.59 -47.92 82.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.17 -46.47 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -73.51 -24.84 60.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -85.92 -14.86 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.94 -68.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 35' ' ' VAL . 35.2 pt -49.13 -27.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.839 ' OE1' HG21 ' A' ' 24' ' ' VAL . 1.1 tt0 -75.5 -46.94 29.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 17.5 t -59.77 -28.35 67.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.08 -47.53 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.2 tp -54.77 -48.57 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' LEU . 37.5 mtt -71.19 -41.14 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.1 m-20 -53.51 -32.92 52.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -74.83 -47.76 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 53' ' ' THR . 1.1 mp -156.97 -108.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER 162.32 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER 178.6 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.5 mt-30 155.65 -71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 3.1 mt-10 -111.5 173.53 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.839 HG21 ' OE1' ' A' ' 12' ' ' GLN . 29.4 m -129.07 150.64 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.71 104.07 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 35' ' ' VAL . 27.0 m -105.67 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 1.5 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.942 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 7.5 p80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -146.74 153.0 39.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 1.6 tt0 -103.81 141.09 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.682 ' CG2' HD12 ' A' ' 11' ' ' ILE . 47.7 t -110.77 95.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.81 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.3 122.17 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -83.81 107.05 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 40.8 t -77.04 153.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 155.72 -112.45 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 5.7 tt0 178.89 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' GLU . 55.9 tp -34.55 -66.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 21' ' ' LEU . 5.2 m-85 -83.52 45.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 23.0 t0 -100.99 72.41 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.92 -21.0 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.88 165.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' VAL . 41.9 t -92.66 129.42 38.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 21.5 ttp180 -38.27 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' SER . 71.3 t -75.05 -68.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -54.78 -37.74 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 2.4 ttmm -59.95 -64.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.0 mm-40 -60.64 -18.51 53.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.36 -50.87 23.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.99 -19.04 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 12.3 t -85.48 -49.36 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.799 ' CE1' HG21 ' A' ' 62' ' ' ILE . 5.9 t80 -86.45 -18.84 30.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.05 -50.93 57.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.967 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.98 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 72' ' ' ILE . 1.7 pp -84.3 40.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.92 -55.14 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.97 95.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.04 -53.33 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.799 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -63.89 -32.25 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 66' ' ' ARG . . . -57.05 -52.6 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -64.32 -36.19 83.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.57 -18.14 62.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.3 tpt85 -34.52 -33.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' ASN . 48.8 pt -40.16 -29.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 66' ' ' ARG . 21.4 m-70 -112.19 -144.85 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -143.64 69.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 70' ' ' VAL . 17.6 m -101.06 92.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.9 m -77.28 166.79 22.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -152.87 137.14 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -162.48 133.06 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -87.16 117.2 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD1' ' CD ' ' A' ' 79' ' ' GLU . 9.2 m-85 -153.53 -178.97 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.5 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.77 -177.46 0.88 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.1 Cg_endo -75.05 -38.8 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 -23.26 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.584 ' CD ' ' CD1' ' A' ' 75' ' ' TYR . 8.3 tt0 -60.1 -33.49 72.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.81 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.68 -75.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -39.23 -52.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.06 -39.25 69.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -71.81 -44.38 64.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -23.09 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.99 -17.83 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 86' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -54.26 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.997 HG21 HG21 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -69.15 -22.54 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.899 ' HG3' HG21 ' A' ' 24' ' ' VAL . 2.2 tt0 -76.02 -35.85 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -41.42 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 61' ' ' TYR . 27.7 m -73.8 -32.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.5 tp -70.06 -40.31 75.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -45.58 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -65.4 -27.18 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' VAL . . . -85.77 -43.32 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.763 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 177.39 109.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -84.75 -151.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.582 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER 174.52 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 3.9 mt-30 156.8 -67.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 mp0 -116.91 170.21 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.899 HG21 ' HG3' ' A' ' 12' ' ' GLN . 9.8 m -139.24 163.56 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.3 m80 -147.76 131.69 17.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 13.9 m -126.5 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.814 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 22.8 p80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.541 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 25.2 p90 -147.04 159.48 43.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' HG13 ' A' ' 36' ' ' ILE . 14.9 tm0? -100.24 131.79 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.997 HG21 HG21 ' A' ' 11' ' ' ILE . 35.8 t -110.4 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.053 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.52 138.05 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -98.89 102.24 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 25' ' ' HIS . 76.9 t -77.23 148.28 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 161.21 -118.96 0.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -173.57 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 110.26 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 25.6 tp -38.46 -55.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.763 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 7.7 m-85 -86.71 38.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 40' ' ' GLU . 52.9 t0 -104.24 72.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.21 -19.66 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 166.43 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 48' ' ' VAL . 30.2 t -87.33 124.93 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -39.24 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 46' ' ' SER . 50.5 t -77.64 -59.15 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -58.69 -31.03 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.765 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -75.98 -43.72 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -69.89 -19.68 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -84.88 -41.56 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.467 ' O ' HD12 ' A' ' 19' ' ' LEU . 3.4 t -81.58 -23.56 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 50' ' ' LYS . 53.3 t -86.11 -46.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 10.0 t80 -84.85 -19.06 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.95 -53.04 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.2 pp -87.75 39.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.72 -41.89 15.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -70.51 -65.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.906 ' CE2' HG21 ' A' ' 14' ' ' VAL . 6.2 t80 -36.77 -44.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.729 HD12 HD12 ' A' ' 58' ' ' LEU . 2.5 mt -70.1 -48.71 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -41.01 -39.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' ILE . 15.2 m-20 -84.47 -38.17 20.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' ILE . 8.2 t-20 -57.86 -16.82 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.3 ttt180 -31.57 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm -37.28 -33.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -125.86 -164.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.646 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.814 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -124.01 89.31 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 70' ' ' VAL . 10.5 m -110.91 94.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.23 152.79 34.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.531 HG21 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.65 112.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.5 mttt -139.85 119.8 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.34 118.94 22.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 12.1 m-85 -149.89 -179.22 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.485 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -89.07 -178.48 1.03 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -36.56 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.773 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.34 -23.71 30.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 5.5 tp10 -59.7 -34.54 73.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 1.053 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.16 -72.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.2 -39.76 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -59.9 -35.68 75.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -84.25 -51.8 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -30.87 70.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.6 ptmm? -86.78 -15.93 37.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.6 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -74.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.68 -27.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -73.59 -44.63 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.664 HG21 ' CE2' ' A' ' 61' ' ' TYR . 38.7 t -76.6 -39.33 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.027 HD21 ' HB2' ' A' ' 37' ' ' ALA . 53.2 tp -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 mtt -82.81 -39.84 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.7 m-20 -63.24 -32.7 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -80.93 -54.8 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -175.45 105.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.626 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.75 -146.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 173.98 -43.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 4.5 tt0 172.32 -69.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.32 -178.3 4.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.254 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.16 163.32 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.2 m80 -147.95 119.08 7.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 11' ' ' ILE . 15.9 m -114.89 95.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.837 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 18.0 p80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -136.03 168.66 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 24.6 tp60 -103.04 124.08 47.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 ' HB ' HD12 ' A' ' 72' ' ' ILE . 16.4 t -103.51 99.18 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.005 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -94.96 130.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.027 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -91.15 105.26 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.669 HG21 ' CE1' ' A' ' 25' ' ' HIS . 2.7 t -75.85 145.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.86 -149.94 18.89 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -154.29 16.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.9 tm? -73.01 -59.75 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 19' ' ' LEU . 19.9 m-85 -91.69 35.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.25 66.21 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 -16.69 1.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 167.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ARG . 24.5 t -89.06 123.64 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.6 ttm180 -38.06 -35.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 71.5 t -71.24 -58.33 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.83 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.707 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.4 ttpp -72.77 -75.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -48.68 -25.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 22.8 tt0 -69.24 -60.32 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -17.77 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.977 HG22 HD21 ' A' ' 19' ' ' LEU . 96.6 t -85.54 -36.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 6.5 t80 -86.32 -22.79 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -50.01 -51.26 30.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.1 Cg_endo -75.05 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.867 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.4 pp -79.84 38.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.606 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -80.8 -44.0 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -72.02 -56.32 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE2' HG21 ' A' ' 14' ' ' VAL . 54.8 t80 -44.12 -44.86 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' HA ' ' CB ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -67.97 -50.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.91 -44.4 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 -34.52 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' ILE . 11.9 t-20 -55.78 -18.49 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -31.15 -38.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 65' ' ' ASN . 20.8 mm -37.96 -43.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -113.51 -167.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.837 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -128.45 81.79 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 m -107.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -74.99 153.3 38.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -135.11 113.17 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptt -135.82 116.45 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.48 117.53 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 14.7 m-85 -153.26 -178.78 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.515 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.07 -176.52 0.71 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.0 -39.11 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.88 -26.58 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.33 -30.4 64.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 1.005 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.66 -74.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.69 -52.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.95 -41.04 77.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -67.14 -44.94 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -24.61 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.49 -17.31 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -68.57 -54.42 16.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.656 ' HB ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -58.02 -25.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tt0 -77.78 -52.21 9.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 8.3 t -63.11 -27.89 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.054 HG11 ' CE2' ' A' ' 61' ' ' TYR . 74.5 t -79.05 -47.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.015 HD21 ' HB2' ' A' ' 37' ' ' ALA . 8.8 tp -57.67 -35.37 70.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' LEU . 1.1 mpt? -85.0 -36.72 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 13' ' ' SER . 36.5 m-20 -64.26 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.75 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.66 -47.48 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -145.57 -121.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 160.09 -168.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 175.96 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 157.59 -72.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.85 178.77 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.92 163.33 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.502 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -154.71 84.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG11 HG13 ' A' ' 11' ' ' ILE . 3.3 m -92.8 117.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.664 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 16.5 p-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -145.2 149.74 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' NE2' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -103.48 123.76 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.656 HG21 ' HB ' ' A' ' 11' ' ' ILE . 71.5 t -98.57 94.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.799 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -93.06 124.24 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -88.77 109.29 20.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 67.3 t -76.31 153.81 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . 153.76 -101.63 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 156.94 -18.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' GLU . 54.2 tp -38.54 -57.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.1 m-85 -87.12 36.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 28.5 t70 -86.77 67.92 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.76 -19.8 1.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 46' ' ' SER . 9.7 tpp -60.3 144.25 50.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.4 t -62.85 117.74 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.6 ttm180 -38.34 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 7.2 p -75.27 -53.57 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.24 -24.74 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 2.3 ttpt -78.96 -47.97 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 25.1 tp60 -68.02 -32.09 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 4.9 pt20 -75.55 -38.38 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 m -80.07 -25.53 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.2 t -86.43 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 1.035 ' CE1' HG21 ' A' ' 62' ' ' ILE . 17.6 t80 -84.66 -18.34 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.09 -53.61 39.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.75 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.03 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.809 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -85.44 39.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -86.31 -52.76 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 pm0 -62.51 -44.73 95.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 1.054 ' CE2' HG11 ' A' ' 14' ' ' VAL . 35.5 t80 -61.93 -60.26 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' CE1' ' A' ' 55' ' ' TYR . 2.2 tt -54.91 -29.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -63.31 -49.67 73.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -33.12 74.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 67' ' ' ILE . 10.1 t-20 -78.89 -17.7 55.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ASN . 64.0 ttt-85 -34.32 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.0 pt -38.24 -39.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' ARG . 18.0 m-70 -102.07 -143.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.653 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.664 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.26 64.45 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 70' ' ' VAL . 12.4 m -94.84 89.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.439 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 7.9 m -73.52 168.97 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -153.91 121.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -144.94 129.49 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.705 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.45 117.22 24.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE1' ' HZ1' ' A' ' 50' ' ' LYS . 9.0 m-85 -149.17 178.5 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' OE1' ' A' ' 79' ' ' GLU . 1.3 p -83.99 -179.0 1.3 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.54 -20.3 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' OE1' HG23 ' A' ' 76' ' ' THR . 5.0 tt0 -60.3 -31.92 70.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.799 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.64 -72.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.44 -51.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -38.92 85.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -67.34 -43.19 82.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -20.48 59.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.5 -17.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.8 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.2 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.456 ' C ' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.38 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.488 ' HB ' HG21 ' A' ' 35' ' ' VAL . 12.1 pt -40.39 -29.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 10' ' ' GLU . 4.1 tt0 -79.15 -69.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 7.8 t -43.56 -27.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.88 -50.12 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 35' ' ' VAL . 43.4 tp -56.75 -31.92 65.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.92 -34.15 21.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 6.5 m-20 -66.92 -33.8 76.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.771 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.4 -53.17 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -177.49 111.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.82 -150.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 175.0 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 3.3 tt0 170.43 -62.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -124.3 171.94 9.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 12' ' ' GLN . 17.3 m -138.62 159.03 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' CE1' HG21 ' A' ' 38' ' ' VAL . 30.0 m80 -143.95 111.21 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 11' ' ' ILE . 2.9 m -104.64 74.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 7.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 2.5 p80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.604 ' HD2' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -136.44 137.68 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.438 ' OE1' ' CZ2' ' A' ' 80' ' ' TRP . 3.8 tm0? -95.6 116.0 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 15' ' ' LEU . 46.7 t -100.5 92.71 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -94.65 128.23 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.723 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.46 113.64 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.47 HG21 ' CE1' ' A' ' 25' ' ' HIS . 87.0 t -86.07 155.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 160.81 -117.13 0.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -178.74 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 57.4 tp -40.08 -53.23 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 6.4 m-30 -90.26 36.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 40' ' ' GLU . 23.7 t70 -91.26 69.14 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.1 -18.28 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.5 ttm -52.25 150.32 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.3 t -72.51 119.23 16.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 ttp-105 -36.82 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.8 t -73.65 -57.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -59.74 -37.29 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.782 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -62.83 -72.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 5.5 mm-40 -52.61 -19.57 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 41.4 tt0 -74.38 -46.66 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.498 HG23 HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.28 -19.97 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 38.7 t -86.35 -46.92 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 11.6 t80 -85.76 -20.24 29.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.14 -52.52 46.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.771 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.5 Cg_endo -74.97 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -87.65 38.07 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -83.89 -39.38 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 8.5 mm-40 -70.82 -65.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.07 -44.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -68.78 -47.43 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.67 -45.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -37.79 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -60.02 -16.8 33.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -31.06 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.9 tt -36.96 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' HG23 ' A' ' 67' ' ' ILE . 13.9 m170 -121.5 -146.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -146.51 84.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.7 m -104.85 92.76 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.9 m -75.8 155.49 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.77 HG12 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -144.09 120.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -145.14 122.23 11.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -82.83 107.37 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 8.4 m-85 -134.99 -178.05 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.46 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -85.71 -179.78 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -37.41 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.82 -23.68 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 5.8 tp10 -61.95 -30.95 71.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.865 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.67 -76.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.85 -49.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -58.58 -40.82 84.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 80' ' ' TRP . 12.9 m-20 -68.54 -42.43 78.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -27.82 64.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' C ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.36 -18.63 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' GLN . 18.7 t-20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -45.7 -44.12 13.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pt -61.93 -33.0 55.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . 20.7 mt-30 -76.83 -60.38 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 t -50.92 -28.22 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.1 t -80.75 -41.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.083 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.6 tp -59.32 -34.75 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.0 mtt -83.59 -37.9 22.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.84 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.33 -39.98 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.725 HD22 ' CG2' ' A' ' 53' ' ' THR . 1.3 tp 174.42 118.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -84.96 -149.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.8 OUTLIER 176.88 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 170.73 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -129.29 174.76 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.24 159.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' ND1' HG21 ' A' ' 38' ' ' VAL . 19.6 m80 -143.86 128.33 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 t -121.13 93.31 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.723 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 30.7 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 32' ' ' HIS . 4.6 m-85 -143.44 142.28 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -97.81 124.28 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.853 HG12 HD22 ' A' ' 15' ' ' LEU . 10.1 t -103.35 95.1 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.011 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.97 129.45 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 1.083 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.28 101.26 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG21 ' ND1' ' A' ' 25' ' ' HIS . 80.4 t -76.69 146.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.09 -119.66 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' ASP . 2.1 mt-10 -178.02 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.1 tp -41.15 -52.13 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CZ ' HD23 ' A' ' 19' ' ' LEU . 5.2 m-30 -90.1 33.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' GLU . 31.1 t0 -84.05 68.19 9.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.61 -18.02 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.96 150.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ARG . 29.5 t -74.39 126.12 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.8 tmm_? -37.94 -37.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.39 -68.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -35.38 4.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -63.47 -73.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.4 mt-30 -52.34 -18.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -71.59 -51.44 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.725 ' CG2' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -83.68 -18.58 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 50' ' ' LYS . 24.2 t -85.36 -48.78 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.9 t80 -86.06 -19.53 30.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.32 -53.03 43.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.936 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.0 -50.95 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.1 pp -87.62 39.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.02 -39.86 17.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.48 -66.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -38.23 -49.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.642 HG21 ' CE1' ' A' ' 55' ' ' TYR . 1.1 mp -66.0 -43.27 92.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -43.63 -49.1 7.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -38.46 65.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -59.06 -17.33 24.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm180 -33.33 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.2 pt -38.85 -30.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.8 m170 -118.64 -145.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.576 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.723 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -147.28 76.9 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' VAL . 18.7 m -102.24 93.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 73.4 m -77.73 161.6 27.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -146.19 123.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -144.28 117.81 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -76.89 114.36 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 9.3 m-85 -144.24 -177.95 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.89 -178.69 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.08 -38.1 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -81.94 -23.08 36.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.52 -35.81 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 1.011 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.4 -24.19 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 85' ' ' LYS . . . -84.57 -44.6 13.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.622 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . 2.6 ttt180 -68.95 -21.45 64.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -87.82 -49.66 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -71.47 -28.26 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 81' ' ' ALA . 1.5 pttp -84.5 -15.7 45.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 4.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' GLN . 6.5 tt0 -42.66 -67.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -36.98 -33.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.9 ' HG3' HG21 ' A' ' 24' ' ' VAL . 1.7 tt0 -78.16 -57.73 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 t -49.37 -37.15 23.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CE2' ' A' ' 61' ' ' TYR . 76.4 t -76.18 -41.23 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 37' ' ' ALA . 19.9 tp -57.75 -43.1 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -40.94 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -58.3 -33.48 69.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.22 -52.12 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 119.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -87.95 -151.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 175.26 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.575 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 1.2 tp60 171.56 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.33 177.62 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.9 HG21 ' HG3' ' A' ' 12' ' ' GLN . 6.0 m -139.35 164.53 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.587 ' CE1' HG21 ' A' ' 38' ' ' VAL . 22.0 m80 -148.18 133.88 18.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.56 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 26' ' ' VAL . 31.4 m -127.49 96.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.871 ' CE1' HG12 ' A' ' 70' ' ' VAL . 2.2 p90 -135.13 165.24 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.27 133.1 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 56.1 t -111.02 99.87 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.034 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.3 138.45 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -99.54 103.95 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.587 HG21 ' CE1' ' A' ' 25' ' ' HIS . 75.3 t -78.56 148.2 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.487 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.03 -118.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -176.64 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 66.7 tp -37.47 -57.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 m-85 -89.29 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' GLU . 14.2 t70 -93.6 70.76 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.1 -20.22 1.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 ttm -51.74 147.46 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 0.812 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.9 t -71.23 132.02 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' SER . 12.2 ttp85 -34.35 -66.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.703 HG13 ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -48.1 -73.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.703 ' H ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -38.1 -32.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.81 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -71.39 -75.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -40.83 -38.19 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.7 tt0 -67.06 -68.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -49.42 -22.1 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 50' ' ' LYS . 59.2 t -87.48 -32.21 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 5.5 t80 -84.71 -17.14 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -59.66 -53.18 48.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' MET . 18.4 Cg_endo -74.99 -73.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -69.57 38.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' PRO . 2.6 tmm? -72.86 -45.98 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.94 -56.09 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -46.94 -28.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.541 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -75.92 -59.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.95 -37.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ARG . 24.9 m-20 -85.91 -41.17 15.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.9 t-20 -39.58 -32.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' ASN . 4.3 tpt85 -30.02 -41.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.2 pt -41.55 -44.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASN . 1.6 m170 -113.05 -144.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -153.68 70.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG12 ' CE1' ' A' ' 33' ' ' PHE . 2.3 m -106.57 95.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 m -71.54 160.24 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.498 HG23 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -136.76 122.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.94 116.87 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.63 112.1 17.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.564 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 17.1 m-85 -146.82 -178.55 6.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.54 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -88.58 -175.6 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.428 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.16 -27.9 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 2.2 tt0 -55.69 -30.31 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 1.034 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -55.87 -58.62 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.0 ttt85 -58.96 -46.45 88.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.442 ' OD1' ' CG ' ' A' ' 79' ' ' GLU . 4.3 m-20 -57.19 -43.61 82.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.68 -26.86 60.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -85.59 -16.14 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' ARG . 3.7 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mt-10 -60.59 -68.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.017 HG21 HG21 ' A' ' 35' ' ' VAL . 1.6 mp -57.16 -22.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' OE1' HG21 ' A' ' 24' ' ' VAL . 2.0 tt0 -76.06 -38.46 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -65.93 -42.2 90.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 5.2 m -76.23 -34.56 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 37' ' ' ALA . 6.6 tp -67.24 -38.02 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.86 -42.4 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.83 -41.88 74.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -71.07 -44.63 65.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.953 HD11 HG22 ' A' ' 54' ' ' VAL . 1.1 pp 177.18 121.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -102.2 106.88 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.927 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -67.38 -33.34 75.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.3 mm-40 157.4 -69.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.0 mt-10 -107.53 170.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG21 ' OE1' ' A' ' 12' ' ' GLN . 1.9 m -132.36 149.83 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 38' ' ' VAL . 34.8 m80 -141.41 128.56 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 36.0 m -128.33 94.38 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.792 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 15.4 p90 -126.23 152.66 45.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 36' ' ' ILE . 5.6 tm0? -99.85 124.26 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.017 HG21 HG21 ' A' ' 11' ' ' ILE . 4.4 t -102.93 91.6 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -99.41 127.06 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.84 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 25' ' ' HIS . 5.1 t -82.59 157.17 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.67 -106.0 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.9 mt-10 164.71 -24.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' GLU . 32.8 tp -37.54 -53.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.5 m-85 -87.46 40.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' GLU . 54.6 p-10 -91.92 10.51 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.27 15.87 1.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.29 163.67 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.7 t -94.41 126.81 39.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' SER . 16.7 ttm105 -34.43 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 65.5 t -75.46 -75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -29.92 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.966 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.6 mt-30 -75.18 -17.96 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -84.78 -38.06 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -82.68 -24.9 33.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.953 HG22 HD11 ' A' ' 19' ' ' LEU . 14.0 t -86.28 -47.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.3 t80 -83.5 -22.93 32.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 59' ' ' MET . . . -49.74 -54.41 17.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.821 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -84.51 39.26 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.73 -48.11 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -68.55 -65.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 t80 -36.08 -47.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HE1' ' A' ' 55' ' ' TYR . 1.3 mp -71.95 -48.33 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.31 -36.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -44.69 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' ILE . 9.7 t-20 -56.29 -17.7 8.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -33.8 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.543 HG23 ' CE1' ' A' ' 68' ' ' HIS . 11.0 tt -38.69 -32.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CE1' HG23 ' A' ' 67' ' ' ILE . 37.6 m-70 -114.54 -147.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -140.6 81.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 3.0 m -108.66 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 m -77.44 152.47 34.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.555 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -139.17 118.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 1.5 mptp? -141.31 142.6 33.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -104.95 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 18.6 m-85 -141.47 -179.03 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.544 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -87.94 -175.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.9 -38.3 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.99 -32.05 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 22.1 tt0 -51.17 -38.5 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.845 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -53.6 -72.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.26 -39.49 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 16.4 ttt85 -59.82 -34.58 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -85.23 -51.38 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -62.06 -30.47 71.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.8 ptmm? -86.87 -15.79 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.5 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.523 0.201 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -171.65 122.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.98 124.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -179.79 108.69 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.87 27.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.557 1.819 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' GLU . 2.4 ptt? 173.43 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 10.5 pt-20 -60.33 -146.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.631 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.8 m-20 81.23 -0.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -75.35 -25.58 57.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -53.38 44.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CG2' ' A' ' 35' ' ' VAL . 5.8 pt -66.87 -23.15 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.22 -40.27 52.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.2 t -71.37 -36.73 71.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.59 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.3 tp -68.28 -39.93 81.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -40.93 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 29.7 m-20 -67.49 -38.41 84.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.86 -54.76 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -176.72 112.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -75.43 -152.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 172.74 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 173.67 -62.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -123.35 174.94 7.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 12' ' ' GLN . 21.6 m -138.21 154.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 34.1 m80 -143.33 102.14 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.2 m -98.87 73.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -88.72 171.46 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.55 -164.28 37.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.73 -59.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.62 -42.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' ' CE2' ' A' ' 33' ' ' PHE . 5.3 m -104.46 -58.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.706 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 8.3 p80 -95.07 126.8 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -128.25 136.2 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.511 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -94.71 127.75 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.774 ' CG2' HD12 ' A' ' 11' ' ' ILE . 53.2 t -108.82 92.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.893 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.65 127.57 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.761 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -93.69 117.51 30.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 43.0 t -88.82 149.58 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.28 -111.73 0.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 mt-10 178.24 -32.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.8 tp -38.79 -58.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 8.1 m-85 -84.85 38.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 13.9 t0 -98.45 70.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.7 -21.17 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 164.36 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -82.48 134.8 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -47.03 -33.98 5.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.87 -60.97 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -32.86 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.863 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 4.5 ttpt -70.08 -76.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -42.39 -32.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' TYR . 30.9 tt0 -66.01 -75.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 m -51.94 -19.94 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.9 t -84.18 -32.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 14.0 t80 -85.81 -23.75 27.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -48.89 -52.83 20.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.802 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.96 -53.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.8 39.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.579 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.02 -43.77 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.92 -62.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -38.86 -47.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -67.57 -49.18 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -81.45 -41.6 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -56.55 -17.97 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm-85 -32.17 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.0 pt -37.67 -32.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 m-70 -122.23 -147.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.706 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.98 87.89 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' VAL . 14.7 m -102.46 91.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -73.27 161.68 30.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -151.51 138.84 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -161.53 120.84 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -84.62 106.99 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 73' ' ' LYS . 14.7 m-85 -135.62 -179.75 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.492 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -84.02 -177.73 1.03 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.98 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.08 -25.46 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.77 -27.22 68.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.893 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.16 -75.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.22 -54.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -56.21 -40.47 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' TRP . 5.7 m-20 -67.64 -45.04 76.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.82 -16.76 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.1 mt -73.27 -165.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -109.18 19.1 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.18 -30.31 4.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 13.3 m-85 -117.58 -0.27 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 90' ' ' LEU . 2.0 tt -137.86 11.81 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -179.84 42.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -63.77 157.17 25.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 69.32 77.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.625 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -138.54 131.11 29.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 62.6 120.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -139.16 141.58 38.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.5 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt 76.32 87.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -164.49 115.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 t0 171.94 83.74 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.75 34.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.455 ' C ' ' CG ' ' A' ' 7' ' ' GLU . 7.0 mtt -164.31 -70.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' CG ' ' C ' ' A' ' 6' ' ' MET . 0.0 OUTLIER 166.54 45.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.619 ' O ' HD11 ' A' ' 11' ' ' ILE . 4.1 p30 -93.42 16.69 12.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 4.9 t-20 -85.5 -43.58 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 12' ' ' GLN . 28.8 tt0 -39.4 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.619 HD11 ' O ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -41.42 -29.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 t -58.98 -27.46 65.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -79.19 -38.52 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 37' ' ' ALA . 23.8 tp -58.02 -45.46 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -44.55 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -51.0 -30.49 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.913 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.78 -40.33 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -165.03 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 176.61 -161.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER 176.1 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 5.6 mt-30 154.93 -70.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 2.1 mt-10 -115.1 171.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.425 HG21 ' HG3' ' A' ' 12' ' ' GLN . 1.7 m -126.77 151.12 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.81 99.61 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.4 p -105.78 93.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.93 156.39 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.61 -128.38 2.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.67 -65.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.484 ' O ' ' CE1' ' A' ' 33' ' ' PHE . . . -178.54 -35.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -101.15 -51.63 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.033 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.767 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 51.9 p-80 -110.25 94.44 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -131.48 160.07 36.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -102.17 135.21 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG21 ' HB ' ' A' ' 11' ' ' ILE . 65.0 t -109.73 98.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.838 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.01 121.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.07 106.86 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 74.6 t -76.86 150.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 153.71 -138.11 6.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -159.11 19.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 23.7 tp -73.66 -68.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 18.9 m-85 -87.74 38.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.24 68.24 8.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.69 -19.54 1.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 165.8 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' VAL . 26.4 t -83.19 122.01 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 13.5 ttm180 -37.18 -31.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 75.1 t -75.5 -57.47 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -32.61 70.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.3 ttpp -70.7 -76.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.8 tm0? -45.45 -33.13 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 51.4 tt0 -64.87 -73.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.33 -20.37 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.594 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 37.1 t -83.37 -34.92 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 10.2 t80 -85.29 -21.88 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -49.61 -53.1 22.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.913 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.4 pp -86.76 38.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.576 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.48 -45.62 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' ALA . 3.0 mt-10 -74.33 -60.97 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -39.35 -44.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 58' ' ' LEU . 1.7 mp -73.7 -43.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.25 -41.53 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.55 -39.84 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -54.5 -19.22 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -34.04 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' ASN . 28.8 pt -39.45 -37.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.86 -146.33 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.767 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -150.66 78.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.9 m -109.67 95.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 156.3 35.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.594 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -136.66 114.83 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.684 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 13.2 mmtm -139.17 124.9 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.68 117.65 24.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 15.2 m-85 -156.01 -178.63 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.51 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -89.97 -176.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.39 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.06 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 2.7 tp10 -58.21 -31.03 66.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.838 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.33 -75.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.24 -49.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -59.12 -40.24 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.79 -46.49 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.23 -23.11 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.31 -17.12 35.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 86' ' ' LEU . 6.7 mt -75.08 -164.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -109.45 18.81 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.76 -32.14 4.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.2 m-85 -116.31 -0.64 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 90' ' ' LEU . 1.9 tt -137.8 12.96 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' ASN . 2.4 mt-10 -178.52 -172.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -166.93 100.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.09 176.4 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 m80 63.62 -179.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 68.09 80.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.45 83.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 3' ' ' GLU . 4.3 tt -162.44 -62.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.61 ' H ' HG23 ' A' ' 2' ' ' ILE . 1.0 OUTLIER 65.92 130.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.6 t0 64.74 117.0 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.14 34.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 mtm -162.09 -72.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 9' ' ' ASN . 2.3 mt-10 -150.93 -74.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.511 ' OD1' HG21 ' A' ' 26' ' ' VAL . 11.3 t30 62.88 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 7' ' ' GLU . 14.2 t-20 -44.21 -25.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -61.36 -75.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -20.75 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.917 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.44 -34.86 58.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -74.63 -36.52 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.08 HG11 ' CD2' ' A' ' 61' ' ' TYR . 85.9 t -76.48 -33.28 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.9 tp -69.41 -41.73 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 mtt -76.71 -47.09 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -56.21 -39.1 71.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.88 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 54' ' ' VAL . 2.5 pt? -175.1 115.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -148.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 178.78 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.589 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.98 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -127.83 176.22 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.917 HG21 ' CG ' ' A' ' 12' ' ' GLN . 25.8 m -139.99 161.6 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.915 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.0 m170 -146.02 117.87 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG21 ' OD1' ' A' ' 8' ' ' ASN . 2.9 m -114.53 91.99 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.17 144.61 31.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.3 -151.71 23.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -113.41 -59.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.44 -39.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 m -90.11 -59.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.975 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.817 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 10.5 p-80 -106.87 111.41 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 6.7 p90 -142.0 151.97 42.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -99.94 128.32 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.888 ' HB ' HD12 ' A' ' 72' ' ' ILE . 36.8 t -106.24 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.972 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.36 130.88 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.28 105.79 17.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 25' ' ' HIS . 61.4 t -81.53 145.54 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.787 ' HA3' HD23 ' A' ' 21' ' ' LEU . . . 167.75 -150.01 15.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.35 16.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 42' ' ' PHE . 2.3 tm? -86.77 -46.45 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD12 ' A' ' 41' ' ' LEU . 19.0 m-85 -97.28 28.83 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -81.49 66.39 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.2 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.09 166.03 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 t -83.14 124.73 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.7 ttp180 -36.41 -34.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 36.0 t -76.73 -71.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -31.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 ttpm? -74.01 -52.31 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.4 mt-30 -66.3 -17.22 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.3 mt-30 -83.55 -43.48 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.448 HG23 ' CD1' ' A' ' 19' ' ' LEU . 4.3 t -82.41 -21.95 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 19' ' ' LEU . 38.1 t -86.71 -48.18 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.6 t80 -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -56.18 -53.23 44.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.0 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.8 pp -85.66 40.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.56 -40.85 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.0 mt-10 -69.56 -61.34 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 1.08 ' CD2' HG11 ' A' ' 14' ' ' VAL . 37.0 t80 -41.96 -44.18 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -71.06 -38.72 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -54.57 -34.46 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -46.45 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -58.17 -16.98 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 65' ' ' ASN . 5.5 ttt85 -32.87 -35.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 30.3 pt -38.6 -31.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' N ' ' C ' ' A' ' 66' ' ' ARG . 5.1 m170 -118.04 -146.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.817 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -137.97 87.96 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -111.57 105.12 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 19.0 m -94.54 155.83 16.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.888 HD12 ' HB ' ' A' ' 35' ' ' VAL . 2.3 tp -138.67 116.63 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 8.5 mttt -136.32 109.66 7.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.706 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -74.89 111.91 10.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.5 m-85 -145.26 -178.2 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.72 -176.48 0.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.22 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 5.8 tt0 -61.09 -27.81 68.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.972 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.41 -74.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.022 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.5 -52.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.6 ttm180 -61.04 -41.85 97.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -61.65 -47.6 84.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -85.83 -15.96 40.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.9 mt -70.41 -160.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -115.26 26.41 10.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.66 -29.73 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 11.5 m-85 -117.17 1.0 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.694 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -137.14 13.41 3.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.48 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 t-160 62.42 179.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.02 123.09 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.616 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -43.27 -63.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.22 65.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -48.88 111.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.553 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.495 0.188 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -144.21 -165.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.9 mt-10 165.21 158.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.94 145.58 96.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.51 25.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 6' ' ' MET . 0.9 OUTLIER 168.62 93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 15.1 mt-10 -51.47 -97.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.498 ' O ' HD11 ' A' ' 11' ' ' ILE . 1.2 t-20 74.41 4.0 4.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.351 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -85.62 -19.4 31.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -61.29 -73.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.13 -31.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.891 ' HG2' HG21 ' A' ' 24' ' ' VAL . 1.3 mt-30 -72.21 -39.26 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' GLU . 22.9 t -68.45 -39.65 81.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -74.79 -28.64 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.9 tp -74.11 -32.47 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -42.62 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.47 -43.31 97.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.712 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -60.13 -61.12 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.602 HD13 ' HZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 108.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.57 -149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.591 HD21 ' H ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 172.59 -46.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 9.9 tp60 173.26 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -127.04 177.51 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HG2' ' A' ' 12' ' ' GLN . 11.6 m -143.23 161.38 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.64 ' CE1' HG21 ' A' ' 38' ' ' VAL . 14.8 m80 -141.16 114.51 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.97 80.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.34 122.38 27.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 33' ' ' PHE . . . -98.79 162.02 20.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.07 -62.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 0.811 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 175.84 83.94 0.06 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.4 m 89.01 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 0.804 . . . . 0.0 110.041 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.705 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 12.3 p-80 -122.55 124.98 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 2.3 m-85 -125.61 141.83 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.635 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 32.9 tp60 -89.13 116.38 27.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 70' ' ' VAL . 2.4 t -102.48 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.934 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.45 150.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -112.51 102.72 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 25' ' ' HIS . 77.9 t -79.5 148.89 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.49 -118.72 0.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 tt0 -172.14 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 30.0 tp -36.82 -62.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' HZ ' HD13 ' A' ' 19' ' ' LEU . 9.0 m-30 -85.58 42.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 62.0 t0 -97.1 66.16 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.85 -15.32 1.76 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.489 ' HE1' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tpp -55.71 145.8 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.5 t -66.16 119.53 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -38.53 -32.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 10.0 p -71.84 -53.24 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.9 tmtm? -65.68 -35.15 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.852 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.9 ttpm? -66.87 -75.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 6.4 mt-30 -45.35 -34.0 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 25.9 tt0 -63.0 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 19' ' ' LEU . 1.2 m -52.29 -19.72 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.1 t -84.74 -30.01 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' MET . 14.1 t80 -85.48 -30.15 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -44.64 -53.55 7.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.712 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.885 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.9 pp -84.6 39.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.36 -50.45 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 61' ' ' TYR . 22.1 pt-20 -73.7 -52.87 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CG ' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -43.96 -43.99 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASN . 1.0 OUTLIER -72.62 -47.97 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -40.05 -42.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.29 -36.33 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 7.7 t-20 -57.75 -17.06 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' ASN . 34.3 ttt85 -32.34 -35.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.1 pt -37.17 -40.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 67' ' ' ILE . 1.8 m-70 -116.22 -145.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.705 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -149.83 92.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -110.83 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 3.6 m -80.57 148.76 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -131.36 113.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -142.15 109.38 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.852 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.1 112.83 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.1 m-85 -142.5 -177.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.479 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -85.59 -178.56 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.87 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.62 -26.14 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.69 -28.04 65.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.934 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.05 -74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -37.98 -52.51 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -41.6 88.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -65.09 -47.1 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -69.11 -24.61 64.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.05 -16.29 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 86' ' ' LEU . 4.3 mt -71.1 -163.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -111.49 23.1 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.07 -29.36 3.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.4 m-85 -116.94 -0.08 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.61 ' O ' HD23 ' A' ' 90' ' ' LEU . 1.7 tt -139.55 13.92 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 90' ' ' LEU . 1.8 tp10 33.64 89.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.453 ' HB2' HD23 ' A' ' 90' ' ' LEU . 74.9 t60 -127.86 51.97 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -172.08 -43.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.77 100.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -168.6 82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.57 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -57.47 162.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.98 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -132.76 10.47 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.72 71.09 1.48 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.02 57.34 4.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.453 1.764 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 3.1 mtt 167.37 -31.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 60.78 76.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.44 20.91 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -78.04 -21.9 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -50.6 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.855 ' CG2' HG21 ' A' ' 35' ' ' VAL . 8.7 mt -68.32 -24.92 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.865 ' CD ' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -76.45 -37.18 57.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.3 t -72.3 -35.69 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.035 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.723 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -75.44 -34.47 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 ' CG1' ' A' ' 35' ' ' VAL . 8.9 tp -68.67 -40.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -42.57 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 13' ' ' SER . 17.5 m-20 -59.65 -41.84 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.99 -42.65 94.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 171.82 121.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -79.46 -152.6 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 42' ' ' PHE . 1.9 tp 175.48 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.3 mm-40 156.8 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -125.27 167.6 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.865 HG21 ' CD ' ' A' ' 12' ' ' GLN . 33.0 m -127.43 150.18 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -138.5 113.33 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.4 m -116.41 91.49 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 1.1 m -96.53 127.04 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' CA ' ' HB3' ' A' ' 33' ' ' PHE . . . -143.52 168.49 26.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 173.14 83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 127.05 -48.91 0.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.614 ' CA ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER 165.6 -28.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 18.1 p80 -96.01 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' ' CA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -119.81 138.24 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.777 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 2.9 tt0 -94.72 144.83 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.918 ' CG1' HD22 ' A' ' 15' ' ' LEU . 59.2 t -114.12 84.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.903 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -86.55 119.16 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.74 110.28 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 55.9 t -77.26 157.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 147.91 -109.39 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 164.86 -22.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -43.2 -47.53 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.808 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.1 m-85 -89.04 27.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLU . 3.4 p-10 -96.48 13.35 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.66 0.59 5.88 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 tpp -109.58 151.15 27.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -65.87 149.0 50.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -57.48 -31.96 66.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 t -71.18 -65.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -32.06 36.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.2 ttmm -77.26 -29.93 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.88 -39.72 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.54 -30.43 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -81.19 -29.29 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 50' ' ' LYS . 51.6 t -86.68 -42.24 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 62' ' ' ILE . 12.4 t80 -84.97 -19.6 31.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.88 -53.44 39.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.97 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.98 -51.75 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.892 ' CD1' HD12 ' A' ' 62' ' ' ILE . 2.2 pp -86.34 39.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.22 -42.71 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -70.74 -68.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.723 ' CG ' HG21 ' A' ' 14' ' ' VAL . 22.7 t80 -36.47 -48.97 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CD1' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.69 -46.88 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.89 -43.34 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -43.93 63.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -57.75 -17.52 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' ASN . 22.4 ttt180 -31.69 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 17.4 pt -36.62 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.8 m-70 -119.78 -145.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.709 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -138.32 85.01 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 65' ' ' ASN . 5.5 m -103.5 91.46 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.32 164.77 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -155.81 133.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -164.9 118.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -78.84 105.44 10.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.8 m-85 -135.92 -178.34 5.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -83.37 -178.66 1.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.5 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.26 -28.69 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 7.3 tp10 -52.78 -37.4 59.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.903 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.27 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.22 -51.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -57.07 -39.93 75.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -69.39 -45.39 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -70.79 -19.92 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.56 -17.67 33.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.5 mt -76.39 -167.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.06 17.91 22.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.86 -29.08 5.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.777 ' CZ ' ' NE2' ' A' ' 34' ' ' GLN . 13.2 m-85 -121.09 -0.27 10.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -135.31 11.06 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.08 45.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -58.94 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -141.32 -65.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 41.21 73.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.533 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.614 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.23 144.07 26.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.503 0.192 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 3' ' ' GLU . 4.8 tp -174.36 -48.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 2' ' ' ILE . 4.0 mm-40 69.56 134.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.41 153.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.14 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -34.95 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 70.17 82.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -101.04 27.86 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -79.07 -20.56 48.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -67.21 -45.31 77.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.796 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -65.04 -32.46 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HG21 ' A' ' 24' ' ' VAL . 14.0 mt-30 -74.92 -40.83 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 13.9 t -68.73 -28.59 66.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 70.6 t -77.99 -42.67 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 37' ' ' ALA . 10.3 tp -59.42 -43.19 93.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' LEU . 22.5 mtt -78.17 -41.29 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 13' ' ' SER . 31.6 m-20 -54.76 -32.54 60.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -84.38 -50.91 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -147.49 -119.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 1.4 m 158.42 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -169.68 -42.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.2 mt-30 157.24 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' HG12 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.43 174.33 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG21 ' CD ' ' A' ' 12' ' ' GLN . 16.1 m -134.88 151.29 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.66 ' CE1' HG21 ' A' ' 38' ' ' VAL . 36.2 m80 -141.54 108.59 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.931 HG12 HG22 ' A' ' 35' ' ' VAL . 28.7 m -106.39 96.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -100.22 142.61 31.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.22 -146.56 15.33 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -124.63 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' OG ' ' A' ' 31' ' ' SER . . . -157.41 59.72 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.61 ' OG ' ' CE1' ' A' ' 68' ' ' HIS . 2.4 m 167.55 -62.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 31.9 p-80 -106.55 97.53 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.591 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.88 ' CE1' HG12 ' A' ' 70' ' ' VAL . 18.3 p90 -136.56 155.85 49.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -103.03 142.32 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.931 HG22 HG12 ' A' ' 26' ' ' VAL . 89.9 t -114.77 99.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.939 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.69 127.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.718 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -88.53 102.63 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.66 HG21 ' CE1' ' A' ' 25' ' ' HIS . 3.4 t -75.75 151.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.14 -100.36 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 2.7 mt-10 163.14 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 42' ' ' PHE . 7.4 tp -35.12 -64.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -88.62 42.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 32.8 p-10 -87.48 11.1 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.41 13.49 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 42' ' ' PHE . 1.2 ttm -91.39 164.56 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 48' ' ' VAL . 46.6 t -90.84 127.23 36.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.6 tmm_? -36.45 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' SER . 99.2 t -75.69 -72.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -45.37 -36.44 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HZ2' ' N ' ' A' ' 51' ' ' GLN . 4.4 ttpp -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -59.56 -18.53 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -74.19 -47.96 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -19.0 34.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 19' ' ' LEU . 3.4 t -86.47 -47.14 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 62' ' ' ILE . 10.9 t80 -86.59 -21.4 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.76 -50.32 58.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.02 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.79 38.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.31 -39.52 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 20.8 tt0 -67.76 -69.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 14' ' ' VAL . 27.6 t80 -38.31 -51.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -60.39 -44.02 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -49.66 -43.6 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.62 -23.44 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.47 -16.54 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' A' ' 65' ' ' ASN . 7.5 ttt180 -31.34 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.1 mm -37.57 -32.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.61 ' CE1' ' OG ' ' A' ' 31' ' ' SER . 3.1 m170 -124.42 -166.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -121.03 84.58 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.88 HG12 ' CE1' ' A' ' 33' ' ' PHE . 3.0 m -106.65 92.75 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 5.6 m -82.44 161.63 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.556 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -152.05 130.71 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -155.14 122.67 5.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . . . -78.97 115.38 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 m-85 -145.38 -178.08 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -86.16 -178.39 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.34 36.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 4.1 tp10 -53.9 -35.73 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.939 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.91 -41.38 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' ' HE2' ' A' ' 85' ' ' LYS . . . -58.74 -58.67 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -57.19 -48.73 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.2 m-20 -55.02 -45.17 75.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.35 -24.07 59.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -85.95 -16.51 38.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' ARG . 4.0 mt -72.64 -162.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.79 21.77 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.94 -31.66 3.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 9.8 m-85 -117.48 1.03 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.53 12.97 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -173.39 -173.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CG ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER 177.77 71.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -76.76 166.88 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 66.05 119.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -86.27 113.23 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 74.17 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.754 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -173.77 -148.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.754 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.2 pt-20 -120.26 -170.78 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.7 97.23 43.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.49 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.19 -44.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -156.4 -143.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.863 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.8 m120 83.01 -3.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.52 -19.89 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -58.24 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.88 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -59.84 -31.74 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.94 -35.3 66.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 t -69.42 -37.03 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.66 -33.74 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 37' ' ' ALA . 1.3 tp -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mtt -76.55 -41.34 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -58.87 -40.6 84.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.869 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -70.77 -40.17 72.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.85 HD23 ' HZ ' ' A' ' 42' ' ' PHE . 2.0 tp 177.83 110.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 2.6 m -75.15 -151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER 175.63 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER 158.6 -66.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.5 mt-10 -117.02 173.05 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.02 160.05 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.634 ' CE1' HG21 ' A' ' 38' ' ' VAL . 15.2 m80 -140.73 134.23 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG21 ' HB3' ' A' ' 8' ' ' ASN . 2.7 p -119.41 80.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 29.4 t -76.43 157.25 32.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 174.39 48.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 178.8 152.66 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 109.97 -21.39 25.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.1 m 157.24 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 6.6 p-80 -121.25 117.36 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -148.97 139.99 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -91.34 141.47 28.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.88 HG21 ' CG2' ' A' ' 11' ' ' ILE . 47.3 t -113.58 95.64 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -91.97 142.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -102.39 102.5 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.634 HG21 ' CE1' ' A' ' 25' ' ' HIS . 95.8 t -79.73 146.38 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 165.4 -110.71 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.1 mt-10 178.12 -31.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.6 tp -40.32 -49.39 2.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.85 ' HZ ' HD23 ' A' ' 19' ' ' LEU . 12.6 m-85 -85.19 35.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . 13.8 t70 -96.7 72.22 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.26 -20.97 1.08 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.9 ttm -65.19 152.5 43.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' VAL . 6.6 t -74.12 122.22 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' HG3' ' HZ1' ' A' ' 50' ' ' LYS . 42.3 ttp180 -37.28 -33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' SER . 77.5 t -75.26 -70.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.11 -35.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.749 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 5.9 ttpt -69.43 -75.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 3.5 tm0? -38.54 -34.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.9 tt0 -65.39 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -51.2 -20.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 22.2 t -84.6 -31.33 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 8.1 t80 -85.48 -34.77 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -42.21 -52.61 5.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.869 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.01 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pp -84.23 40.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.58 -40.75 15.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -73.34 -66.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -37.12 -44.04 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -71.86 -46.67 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.49 -40.39 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -40.41 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 67' ' ' ILE . 11.3 t-20 -55.41 -19.14 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.2 ptm180 -35.99 -32.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASN . 16.3 pt -41.74 -37.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -113.51 -147.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.645 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -141.46 89.01 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 70' ' ' VAL . 20.0 m -112.5 98.32 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.822 ' O ' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -72.16 163.43 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -154.55 123.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -161.72 120.04 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.749 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -80.57 118.28 22.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 20.5 m-85 -145.03 -178.42 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -84.34 -177.26 0.92 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -40.26 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -79.11 -30.97 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.545 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -50.81 -33.86 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.944 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.32 -37.68 74.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CE ' ' A' ' 85' ' ' LYS . . . -59.8 -53.04 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 86' ' ' LEU . 4.0 ttt85 -67.92 -51.83 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 m-20 -48.27 -44.75 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -76.09 -27.86 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -75.89 -18.41 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 83' ' ' ASP . 2.9 mt -86.76 -146.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -137.53 25.38 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.02 -37.31 3.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.7 ' HE2' HD11 ' A' ' 36' ' ' ILE . 5.8 m-30 -114.93 -9.28 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -109.33 0.82 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 83.35 -177.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 73.12 -177.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.557 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.87 175.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.663 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -116.63 -58.58 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.3 p80 -150.46 58.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 41.94 86.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.55 122.12 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.74 121.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.77 144.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.96 123.54 7.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER 161.33 92.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 13.9 pt-20 -60.1 -146.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.519 ' HB3' HG21 ' A' ' 26' ' ' VAL . 11.5 m-20 75.3 3.41 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -84.14 -19.69 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -63.67 -53.11 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.879 HG22 HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.49 -19.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.74 ' HG2' HG21 ' A' ' 24' ' ' VAL . 6.7 mt-30 -80.77 -38.08 29.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 8.2 t -71.34 -35.06 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' CE2' ' A' ' 61' ' ' TYR . 23.5 m -76.19 -44.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 tp -57.4 -45.59 84.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -75.21 -40.38 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.6 m-20 -52.41 -34.79 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.863 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -73.21 -50.0 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 ' HE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -154.38 -110.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 3.0 m 145.71 154.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -133.75 -44.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 163.53 -72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.91 176.32 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 12' ' ' GLN . 3.5 m -135.53 154.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.6 m80 -143.97 107.81 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.921 HG12 HG22 ' A' ' 35' ' ' VAL . 16.9 m -105.38 92.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -101.32 147.16 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.81 -148.79 19.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.8 -155.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -92.86 70.37 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.5 m 159.0 -75.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 110.049 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 38.8 p-80 -93.13 103.91 16.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE1' HG12 ' A' ' 70' ' ' VAL . 6.2 p90 -145.47 165.9 27.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 1.3 tm0? -116.38 126.65 53.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.921 HG22 HG12 ' A' ' 26' ' ' VAL . 29.5 t -102.48 104.28 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.93 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -98.3 131.34 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.45 103.34 15.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG21 ' CE1' ' A' ' 25' ' ' HIS . 22.1 t -77.06 155.02 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 157.06 -100.63 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.8 mt-10 164.06 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' GLU . 22.9 tp -36.78 -60.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.735 ' HE2' HD22 ' A' ' 19' ' ' LEU . 12.0 m-85 -90.56 39.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' GLU . 39.6 p-10 -81.88 71.38 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.36 -18.54 2.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.9 tpp -53.12 147.58 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' VAL . 12.9 t -67.57 118.83 11.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.0 ttp85 -38.37 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' SER . 73.8 t -74.5 -54.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -62.05 -39.2 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.3 ttmt -59.04 -62.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.572 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -62.48 -19.1 63.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.34 -47.65 48.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.699 HG22 HD23 ' A' ' 19' ' ' LEU . 1.2 m -85.25 -19.93 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 96.3 t -84.46 -46.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' HE1' HG21 ' A' ' 62' ' ' ILE . 3.5 t80 -85.34 -34.29 21.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -41.36 -51.03 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.863 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.05 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 62' ' ' ILE . 1.9 pp -84.31 40.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -87.56 -40.75 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 111.006 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.26 -69.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.607 ' CE2' HG11 ' A' ' 14' ' ' VAL . 69.3 t80 -38.29 -40.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 58' ' ' LEU . 23.0 mm -71.42 -48.12 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.75 -40.07 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.75 -41.03 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -58.46 -17.65 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ASN . 17.9 ttt85 -33.61 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.5 pt -39.13 -30.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.6 m-70 -119.43 -146.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.575 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.915 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -138.33 101.24 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.669 HG23 HD12 ' A' ' 62' ' ' ILE . 10.7 m -127.5 99.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 2.5 m -100.13 118.17 35.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -106.7 126.97 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.3 mtpt -146.84 131.73 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB3' ' CD ' ' A' ' 50' ' ' LYS . . . -86.26 125.77 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.592 ' CE1' ' NZ ' ' A' ' 50' ' ' LYS . 12.0 m-85 -158.01 -177.99 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -89.98 -176.72 0.68 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.25 -30.1 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -54.24 -31.58 53.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.93 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.87 -42.73 85.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 107.984 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -59.06 -59.08 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 86' ' ' LEU . 7.5 ttt-85 -58.59 -47.92 82.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 13.1 m-20 -54.17 -46.47 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -73.51 -24.84 60.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -85.92 -14.86 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 mt -71.85 -162.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -114.26 26.33 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.88 -29.96 2.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 9.9 m-85 -115.92 1.29 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' ' 91' ' ' GLU . 1.4 tt -129.92 6.36 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CG ' ' HA ' ' A' ' 87' ' ' ASN . 7.5 pt-20 170.91 -179.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.46 140.2 39.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -92.17 177.17 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -41.33 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -145.96 -57.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 41.95 78.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.598 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -164.48 175.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.51 125.81 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 168.55 12.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -75.02 153.16 41.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.821 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 2.9 mtt 166.57 104.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -61.2 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.592 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.1 m-20 84.05 -6.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.03 -25.47 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.94 -68.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 35' ' ' VAL . 35.2 pt -49.13 -27.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.839 ' OE1' HG21 ' A' ' 24' ' ' VAL . 1.1 tt0 -75.5 -46.94 29.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 17.5 t -59.77 -28.35 67.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.08 -47.53 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.2 tp -54.77 -48.57 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' LEU . 37.5 mtt -71.19 -41.14 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.1 m-20 -53.51 -32.92 52.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -74.83 -47.76 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 53' ' ' THR . 1.1 mp -156.97 -108.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER 162.32 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER 178.6 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.5 mt-30 155.65 -71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 3.1 mt-10 -111.5 173.53 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG21 ' OE1' ' A' ' 12' ' ' GLN . 29.4 m -129.07 150.64 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.71 104.07 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 35' ' ' VAL . 27.0 m -105.67 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 1.5 m -110.35 162.18 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.74 -138.19 7.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.77 -65.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.25 -41.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.572 ' O ' ' CE1' ' A' ' 33' ' ' PHE . 6.6 m -99.83 -47.23 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 33.4 p-80 -104.91 112.02 25.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -146.74 153.0 39.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 1.6 tt0 -103.81 141.09 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.682 ' CG2' HD12 ' A' ' 11' ' ' ILE . 47.7 t -110.77 95.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.81 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.3 122.17 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -83.81 107.05 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 40.8 t -77.04 153.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 155.72 -112.45 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 5.7 tt0 178.89 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' GLU . 55.9 tp -34.55 -66.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 21' ' ' LEU . 5.2 m-85 -83.52 45.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 23.0 t0 -100.99 72.41 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.92 -21.0 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.88 165.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' VAL . 41.9 t -92.66 129.42 38.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 21.5 ttp180 -38.27 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' SER . 71.3 t -75.05 -68.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -54.78 -37.74 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 2.4 ttmm -59.95 -64.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.0 mm-40 -60.64 -18.51 53.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.36 -50.87 23.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.99 -19.04 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 12.3 t -85.48 -49.36 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.799 ' CE1' HG21 ' A' ' 62' ' ' ILE . 5.9 t80 -86.45 -18.84 30.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.05 -50.93 57.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.967 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.98 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 72' ' ' ILE . 1.7 pp -84.3 40.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.92 -55.14 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.97 95.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.04 -53.33 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.799 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -63.89 -32.25 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 66' ' ' ARG . . . -57.05 -52.6 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -64.32 -36.19 83.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.57 -18.14 62.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.3 tpt85 -34.52 -33.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' ASN . 48.8 pt -40.16 -29.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 66' ' ' ARG . 21.4 m-70 -112.19 -144.85 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -143.64 69.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 70' ' ' VAL . 17.6 m -101.06 92.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.9 m -77.28 166.79 22.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -152.87 137.14 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -162.48 133.06 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -87.16 117.2 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD1' ' CD ' ' A' ' 79' ' ' GLU . 9.2 m-85 -153.53 -178.97 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.5 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.77 -177.46 0.88 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.1 Cg_endo -75.05 -38.8 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 -23.26 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.584 ' CD ' ' CD1' ' A' ' 75' ' ' TYR . 8.3 tt0 -60.1 -33.49 72.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.81 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.68 -75.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -39.23 -52.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.06 -39.25 69.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -71.81 -44.38 64.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -69.06 -23.09 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.99 -17.83 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 90' ' ' LEU . 6.7 mt -71.32 -164.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.3 m-20 -109.7 23.84 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.98 -30.16 3.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 10.7 m-85 -120.18 -0.87 10.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.959 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -119.12 -5.96 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.5 OUTLIER 87.65 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.0 44.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.53 -174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 59.25 168.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.563 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 96' ' ' HIS . 35.5 t60 -178.82 167.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.467 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 32.3 t-80 72.34 -64.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.582 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.665 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -176.38 -164.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.665 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.5 tt0 -142.38 -149.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -138.92 68.82 42.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.03 -60.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.51 37.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.707 ' HB2' HG11 ' A' ' 26' ' ' VAL . 8.5 p30 -83.27 5.3 23.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -68.21 -23.62 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -54.26 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.997 HG21 HG21 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -69.15 -22.54 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.899 ' HG3' HG21 ' A' ' 24' ' ' VAL . 2.2 tt0 -76.02 -35.85 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -41.42 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 61' ' ' TYR . 27.7 m -73.8 -32.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.5 tp -70.06 -40.31 75.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -45.58 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -65.4 -27.18 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' VAL . . . -85.77 -43.32 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 177.39 109.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -84.75 -151.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.582 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER 174.52 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 3.9 mt-30 156.8 -67.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 mp0 -116.91 170.21 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.899 HG21 ' HG3' ' A' ' 12' ' ' GLN . 9.8 m -139.24 163.56 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.3 m80 -147.76 131.69 17.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' ' 8' ' ' ASN . 13.9 m -126.5 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -97.28 133.39 41.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.63 -153.92 25.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.55 -61.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' A' ' 68' ' ' HIS . 37.9 m -83.84 -63.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.814 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 22.8 p80 -111.24 115.2 28.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.541 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 25.2 p90 -147.04 159.48 43.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' HG13 ' A' ' 36' ' ' ILE . 14.9 tm0? -100.24 131.79 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.997 HG21 HG21 ' A' ' 11' ' ' ILE . 35.8 t -110.4 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.053 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.52 138.05 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -98.89 102.24 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 25' ' ' HIS . 76.9 t -77.23 148.28 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 161.21 -118.96 0.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -173.57 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 110.26 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 25.6 tp -38.46 -55.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.763 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 7.7 m-85 -86.71 38.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 40' ' ' GLU . 52.9 t0 -104.24 72.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.21 -19.66 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 166.43 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 48' ' ' VAL . 30.2 t -87.33 124.93 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -39.24 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 46' ' ' SER . 50.5 t -77.64 -59.15 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -58.69 -31.03 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.765 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -75.98 -43.72 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -69.89 -19.68 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -84.88 -41.56 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 ' O ' HD12 ' A' ' 19' ' ' LEU . 3.4 t -81.58 -23.56 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 50' ' ' LYS . 53.3 t -86.11 -46.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 10.0 t80 -84.85 -19.06 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.95 -53.04 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.2 pp -87.75 39.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.72 -41.89 15.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -70.51 -65.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.906 ' CE2' HG21 ' A' ' 14' ' ' VAL . 6.2 t80 -36.77 -44.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.729 HD12 HD12 ' A' ' 58' ' ' LEU . 2.5 mt -70.1 -48.71 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -41.01 -39.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' ILE . 15.2 m-20 -84.47 -38.17 20.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' ILE . 8.2 t-20 -57.86 -16.82 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.3 ttt180 -31.57 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm -37.28 -33.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -125.86 -164.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.646 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.814 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -124.01 89.31 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 70' ' ' VAL . 10.5 m -110.91 94.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.23 152.79 34.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.531 HG21 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.65 112.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.5 mttt -139.85 119.8 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.34 118.94 22.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 12.1 m-85 -149.89 -179.22 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.485 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -89.07 -178.48 1.03 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -36.56 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.773 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.34 -23.71 30.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 5.5 tp10 -59.7 -34.54 73.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 1.053 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.16 -72.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.2 -39.76 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -59.9 -35.68 75.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -84.25 -51.8 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.26 -30.87 70.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.6 ptmm? -86.78 -15.93 37.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.6 mt -75.27 -159.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.11 20.18 16.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.08 -33.75 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 7.1 m-85 -113.76 -0.04 14.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.6 11.77 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -165.12 -158.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 3.3 t-80 85.9 178.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -72.08 -44.08 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' A' ' 93' ' ' HIS . 0.0 OUTLIER 166.8 -72.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 96' ' ' HIS . 44.5 t-80 -175.3 164.35 3.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.411 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 19.1 p80 -84.61 119.87 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.583 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.708 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -173.85 -162.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.708 ' N ' HG23 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -162.82 123.91 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.68 128.12 51.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.808 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -142.91 -52.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 3.5 pt-20 -172.42 -169.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.881 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.7 m-20 84.66 -1.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -83.96 -20.18 33.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -74.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.68 -27.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -73.59 -44.63 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.664 HG21 ' CE2' ' A' ' 61' ' ' TYR . 38.7 t -76.6 -39.33 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.027 HD21 ' HB2' ' A' ' 37' ' ' ALA . 53.2 tp -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 mtt -82.81 -39.84 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.7 m-20 -63.24 -32.7 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -80.93 -54.8 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -175.45 105.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.626 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.75 -146.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 173.98 -43.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 4.5 tt0 172.32 -69.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.32 -178.3 4.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.254 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.16 163.32 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.2 m80 -147.95 119.08 7.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.881 HG21 ' HB3' ' A' ' 8' ' ' ASN . 15.9 m -114.89 95.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -99.71 132.27 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.65 -143.85 10.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.06 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.17 -91.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -160.29 74.26 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 2.0 m 158.11 -60.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.837 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 18.0 p80 -117.07 97.26 5.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -136.03 168.66 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 24.6 tp60 -103.04 124.08 47.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 ' HB ' HD12 ' A' ' 72' ' ' ILE . 16.4 t -103.51 99.18 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.005 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -94.96 130.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.027 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -91.15 105.26 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.669 HG21 ' CE1' ' A' ' 25' ' ' HIS . 2.7 t -75.85 145.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.86 -149.94 18.89 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -154.29 16.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.9 tm? -73.01 -59.75 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 19' ' ' LEU . 19.9 m-85 -91.69 35.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.25 66.21 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 -16.69 1.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 167.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ARG . 24.5 t -89.06 123.64 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.6 ttm180 -38.06 -35.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 71.5 t -71.24 -58.33 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.83 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.707 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.4 ttpp -72.77 -75.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -48.68 -25.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 22.8 tt0 -69.24 -60.32 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -17.77 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.977 HG22 HD21 ' A' ' 19' ' ' LEU . 96.6 t -85.54 -36.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 6.5 t80 -86.32 -22.79 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -50.01 -51.26 30.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.1 Cg_endo -75.05 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.867 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.4 pp -79.84 38.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.606 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -80.8 -44.0 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -72.02 -56.32 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE2' HG21 ' A' ' 14' ' ' VAL . 54.8 t80 -44.12 -44.86 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' HA ' ' CB ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -67.97 -50.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.91 -44.4 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 -34.52 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' ILE . 11.9 t-20 -55.78 -18.49 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -31.15 -38.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 65' ' ' ASN . 20.8 mm -37.96 -43.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -113.51 -167.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.837 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -128.45 81.79 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 m -107.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -74.99 153.3 38.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -135.11 113.17 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptt -135.82 116.45 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.48 117.53 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 14.7 m-85 -153.26 -178.78 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.515 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.07 -176.52 0.71 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.0 -39.11 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.88 -26.58 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.33 -30.4 64.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 1.005 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.66 -74.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.69 -52.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.95 -41.04 77.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -67.14 -44.94 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -24.61 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.49 -17.31 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.3 mt -76.22 -164.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.7 19.75 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.92 -32.65 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.44 -0.52 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 90' ' ' LEU . 1.2 tt -135.69 12.33 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.43 -175.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -153.44 87.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.82 161.71 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.569 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.61 158.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -173.9 132.38 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.04 138.54 24.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.619 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.14 153.02 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.84 129.42 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 13.3 t70 48.67 65.13 7.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.95 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.532 1.806 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 170.05 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -151.61 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.728 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -91.98 24.27 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.72 -20.59 35.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -68.57 -54.42 16.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.728 HD11 ' HB3' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -58.02 -25.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tt0 -77.78 -52.21 9.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 8.3 t -63.11 -27.89 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.054 HG11 ' CE2' ' A' ' 61' ' ' TYR . 74.5 t -79.05 -47.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.015 HD21 ' HB2' ' A' ' 37' ' ' ALA . 8.8 tp -57.67 -35.37 70.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' LEU . 1.1 mpt? -85.0 -36.72 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 13' ' ' SER . 36.5 m-20 -64.26 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.75 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.66 -47.48 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -145.57 -121.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 160.09 -168.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 175.96 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 157.59 -72.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.85 178.77 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.92 163.33 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.502 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -154.71 84.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG21 ' CB ' ' A' ' 8' ' ' ASN . 3.3 m -92.8 117.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 p -127.8 155.59 43.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' ASP . . . 128.76 -162.36 22.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER 160.88 149.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 106.72 -31.56 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 153.13 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.664 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 16.5 p-80 -115.63 126.82 54.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -145.2 149.74 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.48 123.76 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.656 HG21 ' HB ' ' A' ' 11' ' ' ILE . 71.5 t -98.57 94.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.799 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -93.06 124.24 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -88.77 109.29 20.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 67.3 t -76.31 153.81 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . 153.76 -101.63 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 156.94 -18.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' GLU . 54.2 tp -38.54 -57.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.1 m-85 -87.12 36.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 28.5 t70 -86.77 67.92 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.76 -19.8 1.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 46' ' ' SER . 9.7 tpp -60.3 144.25 50.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.4 t -62.85 117.74 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.6 ttm180 -38.34 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 7.2 p -75.27 -53.57 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.24 -24.74 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 2.3 ttpt -78.96 -47.97 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 25.1 tp60 -68.02 -32.09 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 4.9 pt20 -75.55 -38.38 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 m -80.07 -25.53 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.2 t -86.43 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 1.035 ' CE1' HG21 ' A' ' 62' ' ' ILE . 17.6 t80 -84.66 -18.34 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.09 -53.61 39.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.75 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.03 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.809 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -85.44 39.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -86.31 -52.76 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 pm0 -62.51 -44.73 95.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 1.054 ' CE2' HG11 ' A' ' 14' ' ' VAL . 35.5 t80 -61.93 -60.26 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' CE1' ' A' ' 55' ' ' TYR . 2.2 tt -54.91 -29.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -63.31 -49.67 73.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -33.12 74.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 67' ' ' ILE . 10.1 t-20 -78.89 -17.7 55.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ASN . 64.0 ttt-85 -34.32 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.0 pt -38.24 -39.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' ARG . 18.0 m-70 -102.07 -143.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.653 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.664 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.26 64.45 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 70' ' ' VAL . 12.4 m -94.84 89.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.439 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 7.9 m -73.52 168.97 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -153.91 121.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -144.94 129.49 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.705 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.45 117.22 24.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE1' ' HZ1' ' A' ' 50' ' ' LYS . 9.0 m-85 -149.17 178.5 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' OE1' ' A' ' 79' ' ' GLU . 1.3 p -83.99 -179.0 1.3 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.54 -20.3 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' OE1' HG23 ' A' ' 76' ' ' THR . 5.0 tt0 -60.3 -31.92 70.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.799 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.64 -72.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.44 -51.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -38.92 85.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -67.34 -43.19 82.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -75.32 -20.48 59.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.5 -17.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.8 mt -80.54 -166.89 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.38 13.05 30.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.45 -34.63 7.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 13.0 m-85 -121.57 -0.88 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.4 tt -140.18 13.6 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.652 ' C ' ' O ' ' A' ' 90' ' ' LEU . 12.1 mt-10 13.67 93.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -98.58 174.89 6.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.549 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -59.83 145.71 44.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.639 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 143.33 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.619 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -44.13 -56.33 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -43.47 107.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.595 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.502 0.191 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -174.79 -179.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.77 134.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.13 108.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.51 41.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.46 84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -83.83 -141.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 12.4 t30 77.36 1.64 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.2 t-20 -84.88 -32.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' C ' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.38 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.488 ' HB ' HG21 ' A' ' 35' ' ' VAL . 12.1 pt -40.39 -29.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 10' ' ' GLU . 4.1 tt0 -79.15 -69.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 7.8 t -43.56 -27.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.88 -50.12 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 35' ' ' VAL . 43.4 tp -56.75 -31.92 65.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.92 -34.15 21.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 6.5 m-20 -66.92 -33.8 76.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.771 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.4 -53.17 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -177.49 111.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.82 -150.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 175.0 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 3.3 tt0 170.43 -62.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -124.3 171.94 9.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 12' ' ' GLN . 17.3 m -138.62 159.03 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' CE1' HG21 ' A' ' 38' ' ' VAL . 30.0 m80 -143.95 111.21 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 11' ' ' ILE . 2.9 m -104.64 74.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 7.3 m -89.36 170.3 10.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.25 -159.79 31.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -127.45 -62.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.11 -43.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' CE2' ' A' ' 33' ' ' PHE . 5.6 m -97.47 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 2.5 p80 -97.47 138.3 35.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.604 ' HD2' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -136.44 137.68 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.438 ' OE1' ' CZ2' ' A' ' 80' ' ' TRP . 3.8 tm0? -95.6 116.0 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 15' ' ' LEU . 46.7 t -100.5 92.71 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -94.65 128.23 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.723 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.46 113.64 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.47 HG21 ' CE1' ' A' ' 25' ' ' HIS . 87.0 t -86.07 155.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 160.81 -117.13 0.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -178.74 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 57.4 tp -40.08 -53.23 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 6.4 m-30 -90.26 36.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 40' ' ' GLU . 23.7 t70 -91.26 69.14 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.1 -18.28 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.5 ttm -52.25 150.32 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.3 t -72.51 119.23 16.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 ttp-105 -36.82 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.8 t -73.65 -57.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -59.74 -37.29 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.782 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -62.83 -72.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 5.5 mm-40 -52.61 -19.57 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 41.4 tt0 -74.38 -46.66 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.498 HG23 HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.28 -19.97 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 38.7 t -86.35 -46.92 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 11.6 t80 -85.76 -20.24 29.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.14 -52.52 46.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.771 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.5 Cg_endo -74.97 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -87.65 38.07 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -83.89 -39.38 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 8.5 mm-40 -70.82 -65.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.07 -44.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -68.78 -47.43 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.67 -45.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -37.79 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -60.02 -16.8 33.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -31.06 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.9 tt -36.96 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' HG23 ' A' ' 67' ' ' ILE . 13.9 m170 -121.5 -146.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -146.51 84.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.7 m -104.85 92.76 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.9 m -75.8 155.49 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.77 HG12 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -144.09 120.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -145.14 122.23 11.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -82.83 107.37 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 8.4 m-85 -134.99 -178.05 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.46 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -85.71 -179.78 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -37.41 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.82 -23.68 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 5.8 tp10 -61.95 -30.95 71.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.865 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.67 -76.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.85 -49.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -58.58 -40.82 84.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 80' ' ' TRP . 12.9 m-20 -68.54 -42.43 78.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HD2' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -70.95 -27.82 64.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' C ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.36 -18.63 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -106.93 -167.53 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.29 -5.83 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -46.95 -50.7 14.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 18.6 t80 -116.85 -19.54 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' A' ' 92' ' ' HIS . 1.5 tp -91.05 -12.54 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 90' ' ' LEU . 11.5 mt-10 33.17 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.554 ' HB2' HD23 ' A' ' 90' ' ' LEU . 7.4 t-80 -91.13 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.7 143.25 12.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.46 168.35 19.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 66.13 155.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -130.12 169.43 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.565 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.444 0.164 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 3' ' ' GLU . 68.1 mt -146.39 167.1 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 2' ' ' ILE . 9.4 mt-10 72.57 130.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.47 70.25 46.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 94.47 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 179.52 67.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -88.62 -151.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.01 -34.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' GLN . 18.7 t-20 -55.73 -19.22 10.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -45.7 -44.12 13.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pt -61.93 -33.0 55.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . 20.7 mt-30 -76.83 -60.38 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 t -50.92 -28.22 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.1 t -80.75 -41.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.083 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.6 tp -59.32 -34.75 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.0 mtt -83.59 -37.9 22.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.84 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.33 -39.98 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.725 HD22 ' CG2' ' A' ' 53' ' ' THR . 1.3 tp 174.42 118.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -84.96 -149.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.8 OUTLIER 176.88 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 170.73 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -129.29 174.76 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.24 159.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' ND1' HG21 ' A' ' 38' ' ' VAL . 19.6 m80 -143.86 128.33 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 t -121.13 93.31 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.0 115.17 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 33' ' ' PHE . . . -137.22 -147.65 5.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.82 -59.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' CE1' ' A' ' 33' ' ' PHE . . . -163.97 -41.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -113.6 -38.17 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.723 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 30.7 p-80 -107.74 133.82 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CD2' ' HA3' ' A' ' 28' ' ' GLY . 4.6 m-85 -143.44 142.28 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -97.81 124.28 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.853 HG12 HD22 ' A' ' 15' ' ' LEU . 10.1 t -103.35 95.1 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.011 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.97 129.45 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 1.083 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.28 101.26 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG21 ' ND1' ' A' ' 25' ' ' HIS . 80.4 t -76.69 146.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.09 -119.66 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' ASP . 2.1 mt-10 -178.02 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.1 tp -41.15 -52.13 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CZ ' HD23 ' A' ' 19' ' ' LEU . 5.2 m-30 -90.1 33.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' GLU . 31.1 t0 -84.05 68.19 9.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.61 -18.02 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.96 150.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ARG . 29.5 t -74.39 126.12 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.8 tmm_? -37.94 -37.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.39 -68.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -35.38 4.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -63.47 -73.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.4 mt-30 -52.34 -18.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -71.59 -51.44 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.725 ' CG2' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -83.68 -18.58 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 50' ' ' LYS . 24.2 t -85.36 -48.78 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.9 t80 -86.06 -19.53 30.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.32 -53.03 43.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.936 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.0 -50.95 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.1 pp -87.62 39.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.02 -39.86 17.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.48 -66.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -38.23 -49.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.642 HG21 ' CE1' ' A' ' 55' ' ' TYR . 1.1 mp -66.0 -43.27 92.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -43.63 -49.1 7.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -38.46 65.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -59.06 -17.33 24.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm180 -33.33 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.2 pt -38.85 -30.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.8 m170 -118.64 -145.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.576 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.723 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -147.28 76.9 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' VAL . 18.7 m -102.24 93.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 73.4 m -77.73 161.6 27.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -146.19 123.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -144.28 117.81 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -76.89 114.36 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 9.3 m-85 -144.24 -177.95 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.89 -178.69 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.08 -38.1 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -81.94 -23.08 36.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.52 -35.81 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 1.011 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.4 -24.19 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 85' ' ' LYS . . . -84.57 -44.6 13.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.622 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . 2.6 ttt180 -68.95 -21.45 64.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 14.1 m-20 -87.82 -49.66 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -71.47 -28.26 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 81' ' ' ALA . 1.5 pttp -84.5 -15.7 45.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 4.2 mt -76.92 -160.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . 45.0 p-10 -111.83 18.41 18.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.19 -33.2 4.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.6 m-85 -118.1 0.06 11.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 90' ' ' LEU . 2.4 tt -140.8 14.24 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER 47.19 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' ASN . 4.0 t-160 -175.54 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.545 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.41 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.5 m80 57.14 -167.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.624 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 64.32 125.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.9 172.09 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.494 0.188 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -172.56 -63.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.648 ' H ' HG23 ' A' ' 2' ' ' ILE . 1.6 pt-20 -156.81 -145.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -162.38 94.12 1.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 100.76 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER 172.73 39.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 9' ' ' ASN . 2.7 mm-40 59.09 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.986 ' HB3' HG21 ' A' ' 26' ' ' VAL . 2.0 p-10 42.72 27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 7' ' ' GLU . 13.6 t-20 -87.95 -74.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' GLN . 6.5 tt0 -42.66 -67.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -36.98 -33.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.9 ' HG3' HG21 ' A' ' 24' ' ' VAL . 1.7 tt0 -78.16 -57.73 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 t -49.37 -37.15 23.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CE2' ' A' ' 61' ' ' TYR . 76.4 t -76.18 -41.23 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 37' ' ' ALA . 19.9 tp -57.75 -43.1 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -40.94 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -58.3 -33.48 69.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.22 -52.12 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 119.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -87.95 -151.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 175.26 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.575 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 1.2 tp60 171.56 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.33 177.62 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.9 HG21 ' HG3' ' A' ' 12' ' ' GLN . 6.0 m -139.35 164.53 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.587 ' CE1' HG21 ' A' ' 38' ' ' VAL . 22.0 m80 -148.18 133.88 18.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.56 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.986 HG21 ' HB3' ' A' ' 8' ' ' ASN . 31.4 m -127.49 96.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -107.83 133.95 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.5 -137.19 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -127.08 -90.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -160.91 69.37 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.6 m 155.14 -57.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 -113.3 92.88 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.871 ' CE1' HG12 ' A' ' 70' ' ' VAL . 2.2 p90 -135.13 165.24 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.27 133.1 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 56.1 t -111.02 99.87 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.034 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.3 138.45 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -99.54 103.95 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.587 HG21 ' CE1' ' A' ' 25' ' ' HIS . 75.3 t -78.56 148.2 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.487 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.03 -118.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -176.64 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 66.7 tp -37.47 -57.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 m-85 -89.29 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' GLU . 14.2 t70 -93.6 70.76 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.1 -20.22 1.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 ttm -51.74 147.46 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 0.812 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.9 t -71.23 132.02 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' SER . 12.2 ttp85 -34.35 -66.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.703 HG13 ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -48.1 -73.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.703 ' H ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -38.1 -32.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.81 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -71.39 -75.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -40.83 -38.19 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.7 tt0 -67.06 -68.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -49.42 -22.1 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 50' ' ' LYS . 59.2 t -87.48 -32.21 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 5.5 t80 -84.71 -17.14 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -59.66 -53.18 48.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' MET . 18.4 Cg_endo -74.99 -73.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -69.57 38.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' PRO . 2.6 tmm? -72.86 -45.98 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.94 -56.09 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -46.94 -28.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.541 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -75.92 -59.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.95 -37.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ARG . 24.9 m-20 -85.91 -41.17 15.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.9 t-20 -39.58 -32.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' ASN . 4.3 tpt85 -30.02 -41.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.2 pt -41.55 -44.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASN . 1.6 m170 -113.05 -144.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -153.68 70.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG12 ' CE1' ' A' ' 33' ' ' PHE . 2.3 m -106.57 95.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 m -71.54 160.24 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG23 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -136.76 122.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.94 116.87 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.63 112.1 17.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.564 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 17.1 m-85 -146.82 -178.55 6.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.54 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -88.58 -175.6 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.428 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.16 -27.9 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 2.2 tt0 -55.69 -30.31 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 1.034 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -55.87 -58.62 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.0 ttt85 -58.96 -46.45 88.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.442 ' OD1' ' CG ' ' A' ' 79' ' ' GLU . 4.3 m-20 -57.19 -43.61 82.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -74.68 -26.86 60.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -85.59 -16.14 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -76.65 -163.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 91' ' ' GLU . 0.5 OUTLIER -114.13 24.46 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.8 -30.74 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -123.42 2.83 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 90' ' ' LEU . 1.3 tt -138.0 13.15 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 177.39 55.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -93.67 77.99 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -164.22 115.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -174.23 -62.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.64 38.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.581 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -96.18 139.02 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mm 67.75 150.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 176.02 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.18 149.85 52.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -179.6 47.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 65.71 -71.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 1.5 t30 66.75 -58.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 38.3 t-20 -36.14 -35.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mt-10 -60.59 -68.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.017 HG21 HG21 ' A' ' 35' ' ' VAL . 1.6 mp -57.16 -22.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' OE1' HG21 ' A' ' 24' ' ' VAL . 2.0 tt0 -76.06 -38.46 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -65.93 -42.2 90.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 5.2 m -76.23 -34.56 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 37' ' ' ALA . 6.6 tp -67.24 -38.02 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.86 -42.4 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.83 -41.88 74.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -71.07 -44.63 65.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.953 HD11 HG22 ' A' ' 54' ' ' VAL . 1.1 pp 177.18 121.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -102.2 106.88 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.927 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -67.38 -33.34 75.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.3 mm-40 157.4 -69.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.0 mt-10 -107.53 170.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG21 ' OE1' ' A' ' 12' ' ' GLN . 1.9 m -132.36 149.83 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 38' ' ' VAL . 34.8 m80 -141.41 128.56 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 36.0 m -128.33 94.38 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.57 111.97 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.25 -151.26 6.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 166.11 113.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.83 -50.4 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.41 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.998 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.792 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 -80.81 98.42 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 15.4 p90 -126.23 152.66 45.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 36' ' ' ILE . 5.6 tm0? -99.85 124.26 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.017 HG21 HG21 ' A' ' 11' ' ' ILE . 4.4 t -102.93 91.6 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -99.41 127.06 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.84 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 25' ' ' HIS . 5.1 t -82.59 157.17 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.67 -106.0 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.9 mt-10 164.71 -24.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' GLU . 32.8 tp -37.54 -53.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.5 m-85 -87.46 40.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' GLU . 54.6 p-10 -91.92 10.51 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.27 15.87 1.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.29 163.67 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.7 t -94.41 126.81 39.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' SER . 16.7 ttm105 -34.43 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 65.5 t -75.46 -75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -29.92 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.966 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.6 mt-30 -75.18 -17.96 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -84.78 -38.06 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -82.68 -24.9 33.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.953 HG22 HD11 ' A' ' 19' ' ' LEU . 14.0 t -86.28 -47.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.3 t80 -83.5 -22.93 32.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 59' ' ' MET . . . -49.74 -54.41 17.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.821 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -84.51 39.26 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.73 -48.11 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -68.55 -65.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 t80 -36.08 -47.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HE1' ' A' ' 55' ' ' TYR . 1.3 mp -71.95 -48.33 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.31 -36.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -44.69 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' ILE . 9.7 t-20 -56.29 -17.7 8.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -33.8 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.543 HG23 ' CE1' ' A' ' 68' ' ' HIS . 11.0 tt -38.69 -32.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.543 ' CE1' HG23 ' A' ' 67' ' ' ILE . 37.6 m-70 -114.54 -147.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -140.6 81.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 3.0 m -108.66 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 m -77.44 152.47 34.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.555 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -139.17 118.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 1.5 mptp? -141.31 142.6 33.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -104.95 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 18.6 m-85 -141.47 -179.03 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.544 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -87.94 -175.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.9 -38.3 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.99 -32.05 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 22.1 tt0 -51.17 -38.5 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.845 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -53.6 -72.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.26 -39.49 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 16.4 ttt85 -59.82 -34.58 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' HB3' ' CD2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -85.23 -51.38 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.435 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -62.06 -30.47 71.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.8 ptmm? -86.87 -15.79 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.5 mt -75.18 -158.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 91' ' ' GLU . 4.5 p30 -113.21 17.6 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.79 -33.68 4.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 83' ' ' ASP . 6.4 m-85 -112.85 -0.69 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 90' ' ' LEU . 2.6 tt -142.91 15.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 50.57 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.491 ' CG ' ' N ' ' A' ' 93' ' ' HIS . 4.5 p80 -83.38 -52.45 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.491 ' N ' ' CG ' ' A' ' 92' ' ' HIS . 0.3 OUTLIER 64.64 149.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.603 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -63.96 99.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.64 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -103.13 114.29 28.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -68.49 91.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -53.38 44.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CG2' ' A' ' 35' ' ' VAL . 5.8 pt -66.87 -23.15 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.517 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.22 -40.27 52.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.2 t -71.37 -36.73 71.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.59 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.3 tp -68.28 -39.93 81.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -40.93 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 29.7 m-20 -67.49 -38.41 84.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.86 -54.76 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -176.72 112.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -75.43 -152.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 172.74 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 173.67 -62.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -123.35 174.94 7.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 12' ' ' GLN . 21.6 m -138.21 154.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 34.1 m80 -143.33 102.14 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.2 m -98.87 73.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.706 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 8.3 p80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.25 136.2 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.511 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -94.71 127.75 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.774 ' CG2' HD12 ' A' ' 11' ' ' ILE . 53.2 t -108.82 92.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.893 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.65 127.57 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.761 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -93.69 117.51 30.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 43.0 t -88.82 149.58 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.28 -111.73 0.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 mt-10 178.24 -32.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.8 tp -38.79 -58.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 8.1 m-85 -84.85 38.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 13.9 t0 -98.45 70.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.7 -21.17 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 164.36 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -82.48 134.8 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -47.03 -33.98 5.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.87 -60.97 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -32.86 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.863 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 4.5 ttpt -70.08 -76.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -42.39 -32.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' TYR . 30.9 tt0 -66.01 -75.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 m -51.94 -19.94 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.9 t -84.18 -32.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 14.0 t80 -85.81 -23.75 27.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -48.89 -52.83 20.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.802 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.96 -53.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.8 39.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.579 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.02 -43.77 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.92 -62.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -38.86 -47.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -67.57 -49.18 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -81.45 -41.6 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -56.55 -17.97 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm-85 -32.17 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.0 pt -37.67 -32.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 m-70 -122.23 -147.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.706 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.98 87.89 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' VAL . 14.7 m -102.46 91.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -73.27 161.68 30.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -151.51 138.84 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -161.53 120.84 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -84.62 106.99 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 73' ' ' LYS . 14.7 m-85 -135.62 -179.75 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.492 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -84.02 -177.73 1.03 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.98 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.08 -25.46 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.77 -27.22 68.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.893 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.16 -75.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.22 -54.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -56.21 -40.47 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' TRP . 5.7 m-20 -67.64 -45.04 76.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.82 -16.76 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 4.9 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 12' ' ' GLN . 28.8 tt0 -39.4 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.602 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -41.42 -29.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 t -58.98 -27.46 65.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -79.19 -38.52 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 37' ' ' ALA . 23.8 tp -58.02 -45.46 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -44.55 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -51.0 -30.49 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.913 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.78 -40.33 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -165.03 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 176.61 -161.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER 176.1 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 5.6 mt-30 154.93 -70.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 2.1 mt-10 -115.1 171.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.425 HG21 ' HG3' ' A' ' 12' ' ' GLN . 1.7 m -126.77 151.12 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.81 99.61 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.4 p -105.78 93.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.767 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 51.9 p-80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -131.48 160.07 36.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -102.17 135.21 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG21 ' HB ' ' A' ' 11' ' ' ILE . 65.0 t -109.73 98.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.838 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.01 121.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.07 106.86 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 74.6 t -76.86 150.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 153.71 -138.11 6.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -159.11 19.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 23.7 tp -73.66 -68.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 18.9 m-85 -87.74 38.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.24 68.24 8.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.69 -19.54 1.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 165.8 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' VAL . 26.4 t -83.19 122.01 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 13.5 ttm180 -37.18 -31.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 75.1 t -75.5 -57.47 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -32.61 70.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.3 ttpp -70.7 -76.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.8 tm0? -45.45 -33.13 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 51.4 tt0 -64.87 -73.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.33 -20.37 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.594 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 37.1 t -83.37 -34.92 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 10.2 t80 -85.29 -21.88 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -49.61 -53.1 22.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.913 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.4 pp -86.76 38.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.576 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.48 -45.62 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' ALA . 3.0 mt-10 -74.33 -60.97 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -39.35 -44.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 58' ' ' LEU . 1.7 mp -73.7 -43.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.25 -41.53 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.55 -39.84 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -54.5 -19.22 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -34.04 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' ASN . 28.8 pt -39.45 -37.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.86 -146.33 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.767 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -150.66 78.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.9 m -109.67 95.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 156.3 35.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.594 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -136.66 114.83 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.684 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 13.2 mmtm -139.17 124.9 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.68 117.65 24.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 15.2 m-85 -156.01 -178.63 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.51 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -89.97 -176.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.39 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.06 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 2.7 tp10 -58.21 -31.03 66.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.838 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.33 -75.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.24 -49.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -59.12 -40.24 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.79 -46.49 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.23 -23.11 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.31 -17.12 35.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 86' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -75.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -20.75 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.917 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.44 -34.86 58.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -74.63 -36.52 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.08 HG11 ' CD2' ' A' ' 61' ' ' TYR . 85.9 t -76.48 -33.28 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.9 tp -69.41 -41.73 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 mtt -76.71 -47.09 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -56.21 -39.1 71.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.88 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 54' ' ' VAL . 2.5 pt? -175.1 115.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -148.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 178.78 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.589 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.98 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -127.83 176.22 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.917 HG21 ' CG ' ' A' ' 12' ' ' GLN . 25.8 m -139.99 161.6 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.915 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.0 m170 -146.02 117.87 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.431 HG12 HG22 ' A' ' 35' ' ' VAL . 2.9 m -114.53 91.99 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.817 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 10.5 p-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 6.7 p90 -142.0 151.97 42.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -99.94 128.32 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.888 ' HB ' HD12 ' A' ' 72' ' ' ILE . 36.8 t -106.24 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.972 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.36 130.88 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.28 105.79 17.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 25' ' ' HIS . 61.4 t -81.53 145.54 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.787 ' HA3' HD23 ' A' ' 21' ' ' LEU . . . 167.75 -150.01 15.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.35 16.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 42' ' ' PHE . 2.3 tm? -86.77 -46.45 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD12 ' A' ' 41' ' ' LEU . 19.0 m-85 -97.28 28.83 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -81.49 66.39 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.2 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.09 166.03 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 t -83.14 124.73 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.7 ttp180 -36.41 -34.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 36.0 t -76.73 -71.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -31.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 ttpm? -74.01 -52.31 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.4 mt-30 -66.3 -17.22 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.3 mt-30 -83.55 -43.48 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.448 HG23 ' CD1' ' A' ' 19' ' ' LEU . 4.3 t -82.41 -21.95 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 19' ' ' LEU . 38.1 t -86.71 -48.18 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.6 t80 -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -56.18 -53.23 44.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.0 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.8 pp -85.66 40.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.56 -40.85 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.0 mt-10 -69.56 -61.34 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 1.08 ' CD2' HG11 ' A' ' 14' ' ' VAL . 37.0 t80 -41.96 -44.18 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -71.06 -38.72 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -54.57 -34.46 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -46.45 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -58.17 -16.98 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 65' ' ' ASN . 5.5 ttt85 -32.87 -35.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 30.3 pt -38.6 -31.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.458 ' N ' ' C ' ' A' ' 66' ' ' ARG . 5.1 m170 -118.04 -146.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.817 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -137.97 87.96 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -111.57 105.12 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 19.0 m -94.54 155.83 16.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.888 HD12 ' HB ' ' A' ' 35' ' ' VAL . 2.3 tp -138.67 116.63 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 8.5 mttt -136.32 109.66 7.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.706 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -74.89 111.91 10.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.5 m-85 -145.26 -178.2 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.72 -176.48 0.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.22 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 5.8 tt0 -61.09 -27.81 68.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.972 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.41 -74.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.022 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.5 -52.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.6 ttm180 -61.04 -41.85 97.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -61.65 -47.6 84.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -85.83 -15.96 40.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.9 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 m120 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -61.29 -73.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.13 -31.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.891 ' HG2' HG21 ' A' ' 24' ' ' VAL . 1.3 mt-30 -72.21 -39.26 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' GLU . 22.9 t -68.45 -39.65 81.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -74.79 -28.64 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.786 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.9 tp -74.11 -32.47 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -42.62 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.47 -43.31 97.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.712 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -60.13 -61.12 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.602 HD13 ' HZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 108.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.57 -149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.591 HD21 ' H ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 172.59 -46.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 9.9 tp60 173.26 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -127.04 177.51 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HG2' ' A' ' 12' ' ' GLN . 11.6 m -143.23 161.38 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.64 ' CE1' HG21 ' A' ' 38' ' ' VAL . 14.8 m80 -141.16 114.51 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.97 80.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.705 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 12.3 p-80 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 32' ' ' HIS . 2.3 m-85 -125.61 141.83 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.635 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 32.9 tp60 -89.13 116.38 27.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 70' ' ' VAL . 2.4 t -102.48 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.934 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.45 150.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -112.51 102.72 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 25' ' ' HIS . 77.9 t -79.5 148.89 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.49 -118.72 0.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 tt0 -172.14 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 30.0 tp -36.82 -62.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.602 ' HZ ' HD13 ' A' ' 19' ' ' LEU . 9.0 m-30 -85.58 42.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 62.0 t0 -97.1 66.16 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.85 -15.32 1.76 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.489 ' HE1' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tpp -55.71 145.8 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.5 t -66.16 119.53 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -38.53 -32.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 10.0 p -71.84 -53.24 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.9 tmtm? -65.68 -35.15 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.852 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.9 ttpm? -66.87 -75.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.3 mt-30 -45.35 -34.0 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 25.9 tt0 -63.0 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 19' ' ' LEU . 1.2 m -52.29 -19.72 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.1 t -84.74 -30.01 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' MET . 14.1 t80 -85.48 -30.15 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -44.64 -53.55 7.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.712 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.885 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.9 pp -84.6 39.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.36 -50.45 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 61' ' ' TYR . 22.1 pt-20 -73.7 -52.87 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CG ' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -43.96 -43.99 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASN . 1.0 OUTLIER -72.62 -47.97 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -40.05 -42.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.29 -36.33 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.534 ' ND2' ' CG1' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.75 -17.06 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' ASN . 34.3 ttt85 -32.34 -35.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.1 pt -37.17 -40.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 67' ' ' ILE . 1.8 m-70 -116.22 -145.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.705 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -149.83 92.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -110.83 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 3.6 m -80.57 148.76 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -131.36 113.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -142.15 109.38 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.852 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.1 112.83 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.1 m-85 -142.5 -177.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.479 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -85.59 -178.56 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.87 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.62 -26.14 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.69 -28.04 65.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.934 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.05 -74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -37.98 -52.51 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -41.6 88.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -65.09 -47.1 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -24.61 64.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.05 -16.29 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 86' ' ' LEU . 4.3 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -50.6 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.855 ' CG2' HG21 ' A' ' 35' ' ' VAL . 8.7 mt -68.32 -24.92 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.865 ' CD ' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -76.45 -37.18 57.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.3 t -72.3 -35.69 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.035 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.723 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -75.44 -34.47 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 ' CG1' ' A' ' 35' ' ' VAL . 8.9 tp -68.67 -40.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -42.57 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 13' ' ' SER . 17.5 m-20 -59.65 -41.84 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.99 -42.65 94.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 171.82 121.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -79.46 -152.6 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 42' ' ' PHE . 1.9 tp 175.48 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.3 mm-40 156.8 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -125.27 167.6 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.865 HG21 ' CD ' ' A' ' 12' ' ' GLN . 33.0 m -127.43 150.18 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -138.5 113.33 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.4 m -116.41 91.49 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 1.1 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 18.1 p80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -119.81 138.24 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.598 ' OE1' ' CH2' ' A' ' 80' ' ' TRP . 3.1 tt0 -94.72 144.83 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.918 ' CG1' HD22 ' A' ' 15' ' ' LEU . 59.2 t -114.12 84.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.903 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -86.55 119.16 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.74 110.28 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 55.9 t -77.26 157.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 147.91 -109.39 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 164.86 -22.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -43.2 -47.53 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.808 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.1 m-85 -89.04 27.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLU . 3.4 p-10 -96.48 13.35 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.66 0.59 5.88 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 tpp -109.58 151.15 27.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -65.87 149.0 50.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -57.48 -31.96 66.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 t -71.18 -65.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -32.06 36.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.2 ttmm -77.26 -29.93 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.88 -39.72 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.54 -30.43 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -81.19 -29.29 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 50' ' ' LYS . 51.6 t -86.68 -42.24 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 62' ' ' ILE . 12.4 t80 -84.97 -19.6 31.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.88 -53.44 39.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.97 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.98 -51.75 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.892 ' CD1' HD12 ' A' ' 62' ' ' ILE . 2.2 pp -86.34 39.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.22 -42.71 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -70.74 -68.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.723 ' CG ' HG21 ' A' ' 14' ' ' VAL . 22.7 t80 -36.47 -48.97 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CD1' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.69 -46.88 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.89 -43.34 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -43.93 63.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -57.75 -17.52 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' ASN . 22.4 ttt180 -31.69 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 17.4 pt -36.62 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.8 m-70 -119.78 -145.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.709 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -138.32 85.01 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 65' ' ' ASN . 5.5 m -103.5 91.46 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.32 164.77 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -155.81 133.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -164.9 118.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -78.84 105.44 10.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.8 m-85 -135.92 -178.34 5.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -83.37 -178.66 1.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.5 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.26 -28.69 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 7.3 tp10 -52.78 -37.4 59.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.903 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.27 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.22 -51.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -57.07 -39.93 75.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -69.39 -45.39 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -19.92 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.56 -17.67 33.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.5 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -67.21 -45.31 77.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.796 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -65.04 -32.46 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HG21 ' A' ' 24' ' ' VAL . 14.0 mt-30 -74.92 -40.83 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 13.9 t -68.73 -28.59 66.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 70.6 t -77.99 -42.67 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 37' ' ' ALA . 10.3 tp -59.42 -43.19 93.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' LEU . 22.5 mtt -78.17 -41.29 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 13' ' ' SER . 31.6 m-20 -54.76 -32.54 60.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -84.38 -50.91 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -147.49 -119.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 1.4 m 158.42 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -169.68 -42.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.2 mt-30 157.24 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' HG12 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.43 174.33 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG21 ' CD ' ' A' ' 12' ' ' GLN . 16.1 m -134.88 151.29 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.66 ' CE1' HG21 ' A' ' 38' ' ' VAL . 36.2 m80 -141.54 108.59 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.931 HG12 HG22 ' A' ' 35' ' ' VAL . 28.7 m -106.39 96.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 31.9 p-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.88 ' CE1' HG12 ' A' ' 70' ' ' VAL . 18.3 p90 -136.56 155.85 49.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -103.03 142.32 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.931 HG22 HG12 ' A' ' 26' ' ' VAL . 89.9 t -114.77 99.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.939 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.69 127.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.718 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -88.53 102.63 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.66 HG21 ' CE1' ' A' ' 25' ' ' HIS . 3.4 t -75.75 151.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.14 -100.36 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 2.7 mt-10 163.14 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 42' ' ' PHE . 7.4 tp -35.12 -64.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -88.62 42.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 32.8 p-10 -87.48 11.1 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.41 13.49 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 42' ' ' PHE . 1.2 ttm -91.39 164.56 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 48' ' ' VAL . 46.6 t -90.84 127.23 36.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.6 tmm_? -36.45 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' SER . 99.2 t -75.69 -72.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -45.37 -36.44 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HZ2' ' N ' ' A' ' 51' ' ' GLN . 4.4 ttpp -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.3 mt-30 -59.56 -18.53 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -74.19 -47.96 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -19.0 34.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 19' ' ' LEU . 3.4 t -86.47 -47.14 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 62' ' ' ILE . 10.9 t80 -86.59 -21.4 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.76 -50.32 58.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.02 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.79 38.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.31 -39.52 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 20.8 tt0 -67.76 -69.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 14' ' ' VAL . 27.6 t80 -38.31 -51.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -60.39 -44.02 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -49.66 -43.6 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.62 -23.44 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.47 -16.54 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' A' ' 65' ' ' ASN . 7.5 ttt180 -31.34 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.1 mm -37.57 -32.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.466 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.1 m170 -124.42 -166.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -121.03 84.58 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.88 HG12 ' CE1' ' A' ' 33' ' ' PHE . 3.0 m -106.65 92.75 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 5.6 m -82.44 161.63 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.556 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -152.05 130.71 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -155.14 122.67 5.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . . . -78.97 115.38 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 m-85 -145.38 -178.08 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -86.16 -178.39 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.34 36.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 4.1 tp10 -53.9 -35.73 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.939 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.91 -41.38 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' ' HE2' ' A' ' 85' ' ' LYS . . . -58.74 -58.67 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -57.19 -48.73 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.02 -45.17 75.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.35 -24.07 59.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -85.95 -16.51 38.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' ARG . 4.0 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -58.24 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.88 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -59.84 -31.74 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.94 -35.3 66.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 t -69.42 -37.03 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.66 -33.74 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 37' ' ' ALA . 1.3 tp -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mtt -76.55 -41.34 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -58.87 -40.6 84.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.869 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -70.77 -40.17 72.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.85 HD23 ' HZ ' ' A' ' 42' ' ' PHE . 2.0 tp 177.83 110.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 2.6 m -75.15 -151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER 175.63 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER 158.6 -66.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.5 mt-10 -117.02 173.05 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.02 160.05 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.634 ' CE1' HG21 ' A' ' 38' ' ' VAL . 15.2 m80 -140.73 134.23 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.41 80.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 29.4 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 6.6 p-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -148.97 139.99 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 71' ' ' SER . 2.8 tt0 -91.34 141.47 28.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.88 HG21 ' CG2' ' A' ' 11' ' ' ILE . 47.3 t -113.58 95.64 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -91.97 142.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -102.39 102.5 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.634 HG21 ' CE1' ' A' ' 25' ' ' HIS . 95.8 t -79.73 146.38 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.463 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 165.4 -110.71 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.1 mt-10 178.12 -31.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.6 tp -40.32 -49.39 2.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.85 ' HZ ' HD23 ' A' ' 19' ' ' LEU . 12.6 m-85 -85.19 35.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . 13.8 t70 -96.7 72.22 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.26 -20.97 1.08 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.9 ttm -65.19 152.5 43.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' VAL . 6.6 t -74.12 122.22 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.485 ' HG3' ' HZ1' ' A' ' 50' ' ' LYS . 42.3 ttp180 -37.28 -33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' SER . 77.5 t -75.26 -70.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.11 -35.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.749 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 5.9 ttpt -69.43 -75.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 3.5 tm0? -38.54 -34.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.9 tt0 -65.39 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -51.2 -20.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 22.2 t -84.6 -31.33 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 8.1 t80 -85.48 -34.77 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -42.21 -52.61 5.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.869 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.01 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pp -84.23 40.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.58 -40.75 15.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -73.34 -66.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -37.12 -44.04 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -71.86 -46.67 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.49 -40.39 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -40.41 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.537 HD21 HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -55.41 -19.14 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.2 ptm180 -35.99 -32.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASN . 16.3 pt -41.74 -37.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -113.51 -147.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.645 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -141.46 89.01 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 70' ' ' VAL . 20.0 m -112.5 98.32 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.822 ' O ' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -72.16 163.43 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -154.55 123.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -161.72 120.04 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.749 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -80.57 118.28 22.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 20.5 m-85 -145.03 -178.42 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -84.34 -177.26 0.92 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -40.26 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -79.11 -30.97 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.545 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -50.81 -33.86 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.944 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.32 -37.68 74.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CE ' ' A' ' 85' ' ' LYS . . . -59.8 -53.04 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 86' ' ' LEU . 4.0 ttt85 -67.92 -51.83 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 m-20 -48.27 -44.75 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -76.09 -27.86 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -75.89 -18.41 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 83' ' ' ASP . 2.9 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 t30 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -63.67 -53.11 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.879 HG22 HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.49 -19.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.74 ' HG2' HG21 ' A' ' 24' ' ' VAL . 6.7 mt-30 -80.77 -38.08 29.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 8.2 t -71.34 -35.06 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' CE2' ' A' ' 61' ' ' TYR . 23.5 m -76.19 -44.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 tp -57.4 -45.59 84.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -75.21 -40.38 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.6 m-20 -52.41 -34.79 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.863 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -73.21 -50.0 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 ' HE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -154.38 -110.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 3.0 m 145.71 154.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -133.75 -44.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 163.53 -72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.91 176.32 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 12' ' ' GLN . 3.5 m -135.53 154.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.6 m80 -143.97 107.81 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.921 HG12 HG22 ' A' ' 35' ' ' VAL . 16.9 m -105.38 92.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 38.8 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE1' HG12 ' A' ' 70' ' ' VAL . 6.2 p90 -145.47 165.9 27.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 1.3 tm0? -116.38 126.65 53.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.921 HG22 HG12 ' A' ' 26' ' ' VAL . 29.5 t -102.48 104.28 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.93 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -98.3 131.34 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.45 103.34 15.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG21 ' CE1' ' A' ' 25' ' ' HIS . 22.1 t -77.06 155.02 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 157.06 -100.63 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.8 mt-10 164.06 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' GLU . 22.9 tp -36.78 -60.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.735 ' HE2' HD22 ' A' ' 19' ' ' LEU . 12.0 m-85 -90.56 39.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' GLU . 39.6 p-10 -81.88 71.38 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.36 -18.54 2.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.9 tpp -53.12 147.58 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' VAL . 12.9 t -67.57 118.83 11.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.0 ttp85 -38.37 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' SER . 73.8 t -74.5 -54.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -62.05 -39.2 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.3 ttmt -59.04 -62.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.572 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -62.48 -19.1 63.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.34 -47.65 48.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.699 HG22 HD23 ' A' ' 19' ' ' LEU . 1.2 m -85.25 -19.93 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 96.3 t -84.46 -46.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' HE1' HG21 ' A' ' 62' ' ' ILE . 3.5 t80 -85.34 -34.29 21.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -41.36 -51.03 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.863 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.05 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 62' ' ' ILE . 1.9 pp -84.31 40.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -87.56 -40.75 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 111.006 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.26 -69.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.607 ' CE2' HG11 ' A' ' 14' ' ' VAL . 69.3 t80 -38.29 -40.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 58' ' ' LEU . 23.0 mm -71.42 -48.12 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.75 -40.07 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.75 -41.03 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -58.46 -17.65 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ASN . 17.9 ttt85 -33.61 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.5 pt -39.13 -30.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.6 m-70 -119.43 -146.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.575 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.915 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -138.33 101.24 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.669 HG23 HD12 ' A' ' 62' ' ' ILE . 10.7 m -127.5 99.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 2.5 m -100.13 118.17 35.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -106.7 126.97 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.3 mtpt -146.84 131.73 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB3' ' CD ' ' A' ' 50' ' ' LYS . . . -86.26 125.77 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.592 ' CE1' ' NZ ' ' A' ' 50' ' ' LYS . 12.0 m-85 -158.01 -177.99 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -89.98 -176.72 0.68 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.25 -30.1 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -54.24 -31.58 53.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.93 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.87 -42.73 85.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 107.984 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -59.06 -59.08 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 86' ' ' LEU . 7.5 ttt-85 -58.59 -47.92 82.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -54.17 -46.47 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -73.51 -24.84 60.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -85.92 -14.86 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.94 -68.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 35' ' ' VAL . 35.2 pt -49.13 -27.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.839 ' OE1' HG21 ' A' ' 24' ' ' VAL . 1.1 tt0 -75.5 -46.94 29.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 17.5 t -59.77 -28.35 67.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.08 -47.53 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.2 tp -54.77 -48.57 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' LEU . 37.5 mtt -71.19 -41.14 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.1 m-20 -53.51 -32.92 52.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -74.83 -47.76 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 53' ' ' THR . 1.1 mp -156.97 -108.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER 162.32 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER 178.6 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.5 mt-30 155.65 -71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 3.1 mt-10 -111.5 173.53 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.839 HG21 ' OE1' ' A' ' 12' ' ' GLN . 29.4 m -129.07 150.64 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.71 104.07 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 35' ' ' VAL . 27.0 m -105.67 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 1.5 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.942 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 7.5 p80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -146.74 153.0 39.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 1.6 tt0 -103.81 141.09 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.682 ' CG2' HD12 ' A' ' 11' ' ' ILE . 47.7 t -110.77 95.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.81 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.3 122.17 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -83.81 107.05 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 40.8 t -77.04 153.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 155.72 -112.45 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 5.7 tt0 178.89 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' GLU . 55.9 tp -34.55 -66.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 21' ' ' LEU . 5.2 m-85 -83.52 45.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 23.0 t0 -100.99 72.41 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.92 -21.0 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.88 165.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' VAL . 41.9 t -92.66 129.42 38.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 21.5 ttp180 -38.27 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' SER . 71.3 t -75.05 -68.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -54.78 -37.74 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 2.4 ttmm -59.95 -64.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.0 mm-40 -60.64 -18.51 53.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.36 -50.87 23.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.99 -19.04 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 12.3 t -85.48 -49.36 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.799 ' CE1' HG21 ' A' ' 62' ' ' ILE . 5.9 t80 -86.45 -18.84 30.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.05 -50.93 57.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.967 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.98 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 72' ' ' ILE . 1.7 pp -84.3 40.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.92 -55.14 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.97 95.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.04 -53.33 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.799 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -63.89 -32.25 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 66' ' ' ARG . . . -57.05 -52.6 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -64.32 -36.19 83.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.57 -18.14 62.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.3 tpt85 -34.52 -33.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' ASN . 48.8 pt -40.16 -29.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 66' ' ' ARG . 21.4 m-70 -112.19 -144.85 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -143.64 69.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 70' ' ' VAL . 17.6 m -101.06 92.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.9 m -77.28 166.79 22.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -152.87 137.14 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -162.48 133.06 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -87.16 117.2 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD1' ' CD ' ' A' ' 79' ' ' GLU . 9.2 m-85 -153.53 -178.97 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.5 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.77 -177.46 0.88 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.1 Cg_endo -75.05 -38.8 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 -23.26 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.584 ' CD ' ' CD1' ' A' ' 75' ' ' TYR . 8.3 tt0 -60.1 -33.49 72.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.81 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.68 -75.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -39.23 -52.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.06 -39.25 69.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -71.81 -44.38 64.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.06 -23.09 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.99 -17.83 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 86' ' ' LEU . 6.7 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -54.26 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.997 HG21 HG21 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -69.15 -22.54 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.899 ' HG3' HG21 ' A' ' 24' ' ' VAL . 2.2 tt0 -76.02 -35.85 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -41.42 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 61' ' ' TYR . 27.7 m -73.8 -32.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.5 tp -70.06 -40.31 75.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -45.58 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -65.4 -27.18 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' VAL . . . -85.77 -43.32 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.763 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 177.39 109.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -84.75 -151.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.582 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER 174.52 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 3.9 mt-30 156.8 -67.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 mp0 -116.91 170.21 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.899 HG21 ' HG3' ' A' ' 12' ' ' GLN . 9.8 m -139.24 163.56 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.3 m80 -147.76 131.69 17.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 26' ' ' VAL . 13.9 m -126.5 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.814 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 22.8 p80 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.541 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 25.2 p90 -147.04 159.48 43.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' HG13 ' A' ' 36' ' ' ILE . 14.9 tm0? -100.24 131.79 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.997 HG21 HG21 ' A' ' 11' ' ' ILE . 35.8 t -110.4 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.053 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.52 138.05 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -98.89 102.24 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 25' ' ' HIS . 76.9 t -77.23 148.28 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 161.21 -118.96 0.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -173.57 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 110.26 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 25.6 tp -38.46 -55.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.763 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 7.7 m-85 -86.71 38.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 40' ' ' GLU . 52.9 t0 -104.24 72.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.21 -19.66 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 166.43 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 48' ' ' VAL . 30.2 t -87.33 124.93 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -39.24 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 46' ' ' SER . 50.5 t -77.64 -59.15 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -58.69 -31.03 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.765 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -75.98 -43.72 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 3.2 mm-40 -69.89 -19.68 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -84.88 -41.56 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.467 ' O ' HD12 ' A' ' 19' ' ' LEU . 3.4 t -81.58 -23.56 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 50' ' ' LYS . 53.3 t -86.11 -46.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 10.0 t80 -84.85 -19.06 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.95 -53.04 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.2 pp -87.75 39.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.72 -41.89 15.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -70.51 -65.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.906 ' CE2' HG21 ' A' ' 14' ' ' VAL . 6.2 t80 -36.77 -44.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.729 HD12 HD12 ' A' ' 58' ' ' LEU . 2.5 mt -70.1 -48.71 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -41.01 -39.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' ILE . 15.2 m-20 -84.47 -38.17 20.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -57.86 -16.82 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.3 ttt180 -31.57 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm -37.28 -33.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -125.86 -164.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.646 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.814 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -124.01 89.31 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 70' ' ' VAL . 10.5 m -110.91 94.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.23 152.79 34.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.531 HG21 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.65 112.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.5 mttt -139.85 119.8 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.34 118.94 22.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 12.1 m-85 -149.89 -179.22 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.485 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -89.07 -178.48 1.03 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -36.56 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.773 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.34 -23.71 30.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 5.5 tp10 -59.7 -34.54 73.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 1.053 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.16 -72.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.2 -39.76 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -59.9 -35.68 75.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -84.25 -51.8 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -30.87 70.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.6 ptmm? -86.78 -15.93 37.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.6 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -74.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.68 -27.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -73.59 -44.63 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.664 HG21 ' CE2' ' A' ' 61' ' ' TYR . 38.7 t -76.6 -39.33 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.027 HD21 ' HB2' ' A' ' 37' ' ' ALA . 53.2 tp -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 mtt -82.81 -39.84 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.7 m-20 -63.24 -32.7 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -80.93 -54.8 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -175.45 105.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.626 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.75 -146.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 173.98 -43.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 4.5 tt0 172.32 -69.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.32 -178.3 4.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.254 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.16 163.32 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.2 m80 -147.95 119.08 7.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG11 HD11 ' A' ' 11' ' ' ILE . 15.9 m -114.89 95.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.837 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 47.6 p-80 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -136.03 168.66 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 24.6 tp60 -103.04 124.08 47.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 ' HB ' HD12 ' A' ' 72' ' ' ILE . 16.4 t -103.51 99.18 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.005 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -94.96 130.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.027 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -91.15 105.26 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.669 HG21 ' CE1' ' A' ' 25' ' ' HIS . 2.7 t -75.85 145.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.86 -149.94 18.89 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -154.29 16.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.9 tm? -73.01 -59.75 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 19' ' ' LEU . 19.9 m-85 -91.69 35.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.25 66.21 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 -16.69 1.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 167.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ARG . 24.5 t -89.06 123.64 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.6 ttm180 -38.06 -35.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 71.5 t -71.24 -58.33 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.83 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.707 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.4 ttpp -72.77 -75.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -48.68 -25.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 22.8 tt0 -69.24 -60.32 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -17.77 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.977 HG22 HD21 ' A' ' 19' ' ' LEU . 96.6 t -85.54 -36.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 6.5 t80 -86.32 -22.79 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -50.01 -51.26 30.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.1 Cg_endo -75.05 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.867 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.4 pp -79.84 38.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.606 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -80.8 -44.0 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -72.02 -56.32 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE2' HG21 ' A' ' 14' ' ' VAL . 54.8 t80 -44.12 -44.86 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.449 ' HA ' ' CB ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -67.97 -50.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.91 -44.4 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 -34.52 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -55.78 -18.49 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -31.15 -38.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 65' ' ' ASN . 20.8 mm -37.96 -43.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -113.51 -167.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.837 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -128.45 81.79 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 m -107.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -74.99 153.3 38.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -135.11 113.17 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptt -135.82 116.45 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.48 117.53 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 14.7 m-85 -153.26 -178.78 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.515 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.07 -176.52 0.71 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.0 -39.11 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.88 -26.58 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.33 -30.4 64.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 1.005 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.66 -74.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.69 -52.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.95 -41.04 77.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -67.14 -44.94 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -24.61 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.49 -17.31 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -68.57 -54.42 16.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.656 ' HB ' HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -58.02 -25.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tt0 -77.78 -52.21 9.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 8.3 t -63.11 -27.89 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.054 HG11 ' CE2' ' A' ' 61' ' ' TYR . 74.5 t -79.05 -47.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.015 HD21 ' HB2' ' A' ' 37' ' ' ALA . 8.8 tp -57.67 -35.37 70.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' LEU . 1.1 mpt? -85.0 -36.72 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 13' ' ' SER . 36.5 m-20 -64.26 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.75 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.66 -47.48 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -145.57 -121.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 160.09 -168.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 175.96 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 157.59 -72.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.85 178.77 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.92 163.33 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.502 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -154.71 84.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG11 HG13 ' A' ' 11' ' ' ILE . 3.3 m -92.8 117.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.664 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 16.5 p-80 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -145.2 149.74 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.452 ' NE2' HG13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -103.48 123.76 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.656 HG21 ' HB ' ' A' ' 11' ' ' ILE . 71.5 t -98.57 94.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.799 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -93.06 124.24 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -88.77 109.29 20.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 67.3 t -76.31 153.81 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . 153.76 -101.63 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 156.94 -18.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' GLU . 54.2 tp -38.54 -57.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.1 m-85 -87.12 36.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 28.5 t70 -86.77 67.92 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.76 -19.8 1.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 46' ' ' SER . 9.7 tpp -60.3 144.25 50.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.4 t -62.85 117.74 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.6 ttm180 -38.34 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 7.2 p -75.27 -53.57 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.24 -24.74 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 2.3 ttpt -78.96 -47.97 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 25.1 tp60 -68.02 -32.09 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 4.9 pt20 -75.55 -38.38 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 m -80.07 -25.53 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.2 t -86.43 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 1.035 ' CE1' HG21 ' A' ' 62' ' ' ILE . 17.6 t80 -84.66 -18.34 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.09 -53.61 39.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.75 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.03 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.809 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -85.44 39.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -86.31 -52.76 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 pm0 -62.51 -44.73 95.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 1.054 ' CE2' HG11 ' A' ' 14' ' ' VAL . 35.5 t80 -61.93 -60.26 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' CE1' ' A' ' 55' ' ' TYR . 2.2 tt -54.91 -29.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -63.31 -49.67 73.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -33.12 74.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -78.89 -17.7 55.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ASN . 64.0 ttt-85 -34.32 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.0 pt -38.24 -39.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' ARG . 18.0 m-70 -102.07 -143.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.653 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.664 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.26 64.45 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 70' ' ' VAL . 12.4 m -94.84 89.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.439 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 7.9 m -73.52 168.97 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -153.91 121.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -144.94 129.49 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.705 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.45 117.22 24.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE1' ' HZ1' ' A' ' 50' ' ' LYS . 9.0 m-85 -149.17 178.5 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' OE1' ' A' ' 79' ' ' GLU . 1.3 p -83.99 -179.0 1.3 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.54 -20.3 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' OE1' HG23 ' A' ' 76' ' ' THR . 5.0 tt0 -60.3 -31.92 70.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.799 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.64 -72.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.44 -51.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -38.92 85.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -67.34 -43.19 82.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -20.48 59.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.5 -17.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.8 mt . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.2 t-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.456 ' C ' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.38 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.488 ' HB ' HG21 ' A' ' 35' ' ' VAL . 12.1 pt -40.39 -29.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 10' ' ' GLU . 4.1 tt0 -79.15 -69.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 7.8 t -43.56 -27.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.88 -50.12 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 35' ' ' VAL . 43.4 tp -56.75 -31.92 65.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.92 -34.15 21.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 6.5 m-20 -66.92 -33.8 76.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.771 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.4 -53.17 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -177.49 111.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.82 -150.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 175.0 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 3.3 tt0 170.43 -62.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -124.3 171.94 9.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 12' ' ' GLN . 17.3 m -138.62 159.03 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.47 ' CE1' HG21 ' A' ' 38' ' ' VAL . 30.0 m80 -143.95 111.21 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 11' ' ' ILE . 2.9 m -104.64 74.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 7.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 2.5 p80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.604 ' HD2' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -136.44 137.68 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.438 ' OE1' ' CZ2' ' A' ' 80' ' ' TRP . 3.8 tm0? -95.6 116.0 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 15' ' ' LEU . 46.7 t -100.5 92.71 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -94.65 128.23 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.723 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.46 113.64 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.47 HG21 ' CE1' ' A' ' 25' ' ' HIS . 87.0 t -86.07 155.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 160.81 -117.13 0.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -178.74 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 57.4 tp -40.08 -53.23 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 6.4 m-30 -90.26 36.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 40' ' ' GLU . 23.7 t70 -91.26 69.14 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.1 -18.28 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.5 ttm -52.25 150.32 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.3 t -72.51 119.23 16.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 ttp-105 -36.82 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.8 t -73.65 -57.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -59.74 -37.29 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.782 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -62.83 -72.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 5.5 mm-40 -52.61 -19.57 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 41.4 tt0 -74.38 -46.66 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.498 HG23 HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.28 -19.97 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 38.7 t -86.35 -46.92 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 11.6 t80 -85.76 -20.24 29.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.14 -52.52 46.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.771 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.5 Cg_endo -74.97 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -87.65 38.07 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -83.89 -39.38 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 8.5 mm-40 -70.82 -65.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.07 -44.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -68.78 -47.43 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.67 -45.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -37.79 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -60.02 -16.8 33.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -31.06 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.9 tt -36.96 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' HG23 ' A' ' 67' ' ' ILE . 13.9 m170 -121.5 -146.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -146.51 84.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.7 m -104.85 92.76 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.9 m -75.8 155.49 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.77 HG12 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -144.09 120.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -145.14 122.23 11.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -82.83 107.37 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 8.4 m-85 -134.99 -178.05 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.46 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -85.71 -179.78 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -37.41 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.82 -23.68 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 5.8 tp10 -61.95 -30.95 71.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.865 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.67 -76.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.85 -49.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -58.58 -40.82 84.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 80' ' ' TRP . 12.9 m-20 -68.54 -42.43 78.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -27.82 64.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' C ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.36 -18.63 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' GLN . 1.3 t30 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -45.7 -44.12 13.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pt -61.93 -33.0 55.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . 20.7 mt-30 -76.83 -60.38 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 t -50.92 -28.22 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.1 t -80.75 -41.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.083 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.6 tp -59.32 -34.75 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.0 mtt -83.59 -37.9 22.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.84 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.33 -39.98 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.725 HD22 ' CG2' ' A' ' 53' ' ' THR . 1.3 tp 174.42 118.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -84.96 -149.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.8 OUTLIER 176.88 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 170.73 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -129.29 174.76 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.24 159.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' ND1' HG21 ' A' ' 38' ' ' VAL . 19.6 m80 -143.86 128.33 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 t -121.13 93.31 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.723 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 30.7 p-80 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 32' ' ' HIS . 4.6 m-85 -143.44 142.28 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -97.81 124.28 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.853 HG12 HD22 ' A' ' 15' ' ' LEU . 10.1 t -103.35 95.1 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.011 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.97 129.45 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 1.083 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.28 101.26 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG21 ' ND1' ' A' ' 25' ' ' HIS . 80.4 t -76.69 146.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.09 -119.66 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' ASP . 2.1 mt-10 -178.02 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.1 tp -41.15 -52.13 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CZ ' HD23 ' A' ' 19' ' ' LEU . 5.2 m-30 -90.1 33.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' GLU . 31.1 t0 -84.05 68.19 9.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.61 -18.02 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.96 150.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ARG . 29.5 t -74.39 126.12 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.8 tmm_? -37.94 -37.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.39 -68.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -35.38 4.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -63.47 -73.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 11.2 mt-30 -52.34 -18.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -71.59 -51.44 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.725 ' CG2' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -83.68 -18.58 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 50' ' ' LYS . 24.2 t -85.36 -48.78 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.9 t80 -86.06 -19.53 30.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.32 -53.03 43.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.936 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.0 -50.95 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.1 pp -87.62 39.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.02 -39.86 17.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.48 -66.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -38.23 -49.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.642 HG21 ' CE1' ' A' ' 55' ' ' TYR . 1.1 mp -66.0 -43.27 92.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -43.63 -49.1 7.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -38.46 65.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -59.06 -17.33 24.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm180 -33.33 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.2 pt -38.85 -30.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.8 m170 -118.64 -145.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.576 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.723 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -147.28 76.9 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' VAL . 18.7 m -102.24 93.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 73.4 m -77.73 161.6 27.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -146.19 123.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -144.28 117.81 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -76.89 114.36 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 9.3 m-85 -144.24 -177.95 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.89 -178.69 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.08 -38.1 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -81.94 -23.08 36.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.52 -35.81 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 1.011 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.4 -24.19 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 85' ' ' LYS . . . -84.57 -44.6 13.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.622 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . 2.6 ttt180 -68.95 -21.45 64.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -87.82 -49.66 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -71.47 -28.26 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 81' ' ' ALA . 1.5 pttp -84.5 -15.7 45.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 4.2 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' GLN . 6.5 tt0 -42.66 -67.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -36.98 -33.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.9 ' HG3' HG21 ' A' ' 24' ' ' VAL . 1.7 tt0 -78.16 -57.73 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 t -49.37 -37.15 23.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CE2' ' A' ' 61' ' ' TYR . 76.4 t -76.18 -41.23 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 37' ' ' ALA . 19.9 tp -57.75 -43.1 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -40.94 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -58.3 -33.48 69.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.22 -52.12 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 119.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -87.95 -151.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 175.26 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.575 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 1.2 tp60 171.56 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.33 177.62 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.9 HG21 ' HG3' ' A' ' 12' ' ' GLN . 6.0 m -139.35 164.53 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.587 ' CE1' HG21 ' A' ' 38' ' ' VAL . 22.0 m80 -148.18 133.88 18.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.56 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 ' O ' HG23 ' A' ' 26' ' ' VAL . 31.4 m -127.49 96.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.871 ' CE1' HG12 ' A' ' 70' ' ' VAL . 2.2 p90 -135.13 165.24 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.27 133.1 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 56.1 t -111.02 99.87 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.034 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.3 138.45 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -99.54 103.95 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.587 HG21 ' CE1' ' A' ' 25' ' ' HIS . 75.3 t -78.56 148.2 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.487 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.03 -118.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -176.64 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 66.7 tp -37.47 -57.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 m-85 -89.29 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' GLU . 14.2 t70 -93.6 70.76 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.1 -20.22 1.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 ttm -51.74 147.46 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 0.812 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.9 t -71.23 132.02 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' SER . 12.2 ttp85 -34.35 -66.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.703 HG13 ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -48.1 -73.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.703 ' H ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -38.1 -32.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.81 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -71.39 -75.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -40.83 -38.19 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.7 tt0 -67.06 -68.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -49.42 -22.1 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 50' ' ' LYS . 59.2 t -87.48 -32.21 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 5.5 t80 -84.71 -17.14 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -59.66 -53.18 48.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' MET . 18.4 Cg_endo -74.99 -73.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -69.57 38.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' PRO . 2.6 tmm? -72.86 -45.98 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.94 -56.09 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -46.94 -28.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.541 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -75.92 -59.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.95 -37.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ARG . 24.9 m-20 -85.91 -41.17 15.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.9 t-20 -39.58 -32.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' ASN . 4.3 tpt85 -30.02 -41.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.2 pt -41.55 -44.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASN . 1.6 m170 -113.05 -144.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -153.68 70.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG12 ' CE1' ' A' ' 33' ' ' PHE . 2.3 m -106.57 95.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 m -71.54 160.24 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.498 HG23 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -136.76 122.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.94 116.87 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.63 112.1 17.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.564 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 17.1 m-85 -146.82 -178.55 6.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.54 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -88.58 -175.6 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.428 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.16 -27.9 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 2.2 tt0 -55.69 -30.31 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 1.034 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -55.87 -58.62 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.0 ttt85 -58.96 -46.45 88.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.442 ' OD1' ' CG ' ' A' ' 79' ' ' GLU . 4.3 m-20 -57.19 -43.61 82.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.68 -26.86 60.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -85.59 -16.14 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' ARG . 3.7 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mt-10 -60.59 -68.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.017 HG21 HG21 ' A' ' 35' ' ' VAL . 1.6 mp -57.16 -22.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.538 ' OE1' HG21 ' A' ' 24' ' ' VAL . 2.0 tt0 -76.06 -38.46 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -65.93 -42.2 90.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 5.2 m -76.23 -34.56 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 37' ' ' ALA . 6.6 tp -67.24 -38.02 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.86 -42.4 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.83 -41.88 74.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -71.07 -44.63 65.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.953 HD11 HG22 ' A' ' 54' ' ' VAL . 1.1 pp 177.18 121.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -102.2 106.88 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.927 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -67.38 -33.34 75.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.3 mm-40 157.4 -69.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.0 mt-10 -107.53 170.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.538 HG21 ' OE1' ' A' ' 12' ' ' GLN . 1.9 m -132.36 149.83 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 38' ' ' VAL . 34.8 m80 -141.41 128.56 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 26' ' ' VAL . 36.0 m -128.33 94.38 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.792 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 15.4 p90 -126.23 152.66 45.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 36' ' ' ILE . 5.6 tm0? -99.85 124.26 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.017 HG21 HG21 ' A' ' 11' ' ' ILE . 4.4 t -102.93 91.6 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -99.41 127.06 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.84 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 25' ' ' HIS . 5.1 t -82.59 157.17 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.67 -106.0 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.9 mt-10 164.71 -24.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' GLU . 32.8 tp -37.54 -53.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.5 m-85 -87.46 40.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' GLU . 54.6 p-10 -91.92 10.51 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.27 15.87 1.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.29 163.67 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.7 t -94.41 126.81 39.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' SER . 16.7 ttm105 -34.43 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 65.5 t -75.46 -75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -29.92 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.966 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.6 mt-30 -75.18 -17.96 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.9 mt-30 -84.78 -38.06 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -82.68 -24.9 33.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.953 HG22 HD11 ' A' ' 19' ' ' LEU . 14.0 t -86.28 -47.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.3 t80 -83.5 -22.93 32.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 59' ' ' MET . . . -49.74 -54.41 17.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.821 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -84.51 39.26 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.73 -48.11 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -68.55 -65.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 t80 -36.08 -47.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HE1' ' A' ' 55' ' ' TYR . 1.3 mp -71.95 -48.33 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.31 -36.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -44.69 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -56.29 -17.7 8.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -33.8 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.535 ' CG2' ' CE1' ' A' ' 68' ' ' HIS . 11.0 tt -38.69 -32.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 12.9 m80 -114.54 -147.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -140.6 81.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 3.0 m -108.66 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 m -77.44 152.47 34.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.555 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -139.17 118.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 1.5 mptp? -141.31 142.6 33.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -104.95 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 18.6 m-85 -141.47 -179.03 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.544 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -87.94 -175.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.9 -38.3 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.99 -32.05 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 22.1 tt0 -51.17 -38.5 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.845 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -53.6 -72.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.26 -39.49 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 16.4 ttt85 -59.82 -34.58 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -85.23 -51.38 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -62.06 -30.47 71.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.8 ptmm? -86.87 -15.79 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.5 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.523 0.201 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -171.65 122.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -167.98 124.28 1.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -179.79 108.69 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 141.87 27.15 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.557 1.819 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' GLU . 2.4 ptt? 173.43 95.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 10.5 pt-20 -60.33 -146.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.631 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.8 m-20 81.23 -0.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -75.35 -25.58 57.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -53.38 44.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.774 HD12 ' CG2' ' A' ' 35' ' ' VAL . 5.8 pt -66.87 -23.15 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.517 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.22 -40.27 52.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.2 t -71.37 -36.73 71.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -74.31 -34.59 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.3 tp -68.28 -39.93 81.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -40.93 65.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 29.7 m-20 -67.49 -38.41 84.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.802 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.86 -54.76 25.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -176.72 112.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -75.43 -152.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 172.74 -49.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 173.67 -62.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -123.35 174.94 7.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 110.333 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 12' ' ' GLN . 21.6 m -138.21 154.22 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 34.1 m80 -143.33 102.14 3.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.72 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.2 m -98.87 73.99 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 t -88.72 171.46 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.55 -164.28 37.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.73 -59.5 1.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.775 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.62 -42.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.599 ' O ' ' CE2' ' A' ' 33' ' ' PHE . 5.3 m -104.46 -58.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.706 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 8.3 p80 -95.07 126.8 40.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.613 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -128.25 136.2 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.961 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.511 ' OE1' ' C ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -94.71 127.75 40.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.774 ' CG2' HD12 ' A' ' 11' ' ' ILE . 53.2 t -108.82 92.53 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.893 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.65 127.57 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.761 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -93.69 117.51 30.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 43.0 t -88.82 149.58 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.28 -111.73 0.47 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 mt-10 178.24 -32.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 1.8 tp -38.79 -58.41 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.081 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.54 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 8.1 m-85 -84.85 38.37 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 13.9 t0 -98.45 70.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.7 -21.17 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 164.36 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.9 t -82.48 134.8 35.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -47.03 -33.98 5.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.8 t -74.87 -60.97 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -32.86 43.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.863 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 4.5 ttpt -70.08 -76.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -42.39 -32.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' TYR . 30.9 tt0 -66.01 -75.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 m -51.94 -19.94 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.386 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.9 t -84.18 -32.23 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 14.0 t80 -85.81 -23.75 27.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.475 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -48.89 -52.83 20.17 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.802 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.96 -53.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.471 1.774 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.8 39.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.579 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.02 -43.77 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.92 -62.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -38.86 -47.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.462 HG12 ' CD1' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -67.57 -49.18 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.23 -41.74 1.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -81.45 -41.6 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.484 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -56.55 -17.97 10.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm-85 -32.17 -37.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.0 pt -37.67 -32.83 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 66' ' ' ARG . 3.9 m-70 -122.23 -147.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.626 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.706 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.98 87.89 2.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 70' ' ' VAL . 14.7 m -102.46 91.38 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -73.27 161.68 30.24 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' CD2' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -151.51 138.84 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -161.53 120.84 2.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.863 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -84.62 106.99 16.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 73' ' ' LYS . 14.7 m-85 -135.62 -179.75 5.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.492 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -84.02 -177.73 1.03 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.98 -39.3 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.783 . . . . 0.0 111.029 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.08 -25.46 34.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.77 -27.22 68.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.893 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.16 -75.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 107.966 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.22 -54.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -56.21 -40.47 74.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 80' ' ' TRP . 5.7 m-20 -67.64 -45.04 76.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -23.31 62.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.82 -16.76 35.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.1 mt -73.27 -165.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -109.18 19.1 19.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.18 -30.31 4.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 13.3 m-85 -117.58 -0.27 11.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 90' ' ' LEU . 2.0 tt -137.86 11.81 2.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 90' ' ' LEU . 1.0 OUTLIER -179.84 42.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -63.77 157.17 25.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 69.32 77.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.625 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -138.54 131.11 29.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 62.6 120.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -139.16 141.58 38.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 21.5 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' A' ' 1' ' ' MET . 3.6 mt 76.32 87.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 1' ' ' MET . 0.9 OUTLIER -164.49 115.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.9 t0 171.94 83.74 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.75 34.42 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.455 ' C ' ' CG ' ' A' ' 7' ' ' GLU . 7.0 mtt -164.31 -70.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' CG ' ' C ' ' A' ' 6' ' ' MET . 0.0 OUTLIER 166.54 45.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.619 ' O ' HD11 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.42 16.69 12.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 4.9 t-20 -85.5 -43.58 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 12' ' ' GLN . 28.8 tt0 -39.4 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.619 HD11 ' O ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -41.42 -29.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 t -58.98 -27.46 65.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -79.19 -38.52 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.846 HD11 ' HB2' ' A' ' 37' ' ' ALA . 23.8 tp -58.02 -45.46 86.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' O ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.96 -44.55 22.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -51.0 -30.49 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.913 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.78 -40.33 16.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' O ' ' O ' ' A' ' 16' ' ' MET . 0.5 OUTLIER -165.03 -125.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.455 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.0 OUTLIER 176.61 -161.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER 176.1 -44.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 5.6 mt-30 154.93 -70.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 2.1 mt-10 -115.1 171.45 7.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.425 HG21 ' HG3' ' A' ' 12' ' ' GLN . 1.7 m -126.77 151.12 33.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.42 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.81 99.61 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.4 p -105.78 93.24 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.93 156.39 23.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.61 -128.38 2.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.67 -65.32 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.484 ' O ' ' CE1' ' A' ' 33' ' ' PHE . . . -178.54 -35.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -101.15 -51.63 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 0.763 . . . . 0.0 110.033 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.767 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 51.9 p-80 -110.25 94.44 5.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -131.48 160.07 36.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -102.17 135.21 44.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG21 ' HB ' ' A' ' 11' ' ' ILE . 65.0 t -109.73 98.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.838 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.01 121.59 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.07 106.86 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 74.6 t -76.86 150.4 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 153.71 -138.11 6.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -159.11 19.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 23.7 tp -73.66 -68.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 50' ' ' LYS . 18.9 m-85 -87.74 38.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.24 68.24 8.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.69 -19.54 1.0 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 165.8 3.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' VAL . 26.4 t -83.19 122.01 27.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' SER . 13.5 ttm180 -37.18 -31.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 75.1 t -75.5 -57.47 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.82 -32.61 70.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.727 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.3 ttpp -70.7 -76.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.8 tm0? -45.45 -33.13 2.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 51.4 tt0 -64.87 -73.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.33 -20.37 2.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.594 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 37.1 t -83.37 -34.92 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 10.2 t80 -85.29 -21.88 28.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -49.61 -53.1 22.37 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.913 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.99 -54.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 ' CD2' ' O ' ' A' ' 54' ' ' VAL . 1.4 pp -86.76 38.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.576 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -82.48 -45.62 14.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 63' ' ' ALA . 3.0 mt-10 -74.33 -60.97 2.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -39.35 -44.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 111.016 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.554 HD13 ' HB2' ' A' ' 58' ' ' LEU . 1.7 mp -73.7 -43.6 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.25 -41.53 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -85.55 -39.84 16.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -54.5 -19.22 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -34.04 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 65' ' ' ASN . 28.8 pt -39.45 -37.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -107.86 -146.33 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.553 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.767 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -150.66 78.23 1.31 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.59 ' O ' HG23 ' A' ' 70' ' ' VAL . 33.9 m -109.67 95.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 156.3 35.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.594 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -136.66 114.83 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.684 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 13.2 mmtm -139.17 124.9 19.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.727 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.68 117.65 24.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 74' ' ' ALA . 15.2 m-85 -156.01 -178.63 7.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.51 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -89.97 -176.55 0.66 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.412 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.39 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.06 39.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 2.7 tp10 -58.21 -31.03 66.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.838 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.33 -75.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.24 -49.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -59.12 -40.24 84.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.559 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.79 -46.49 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.536 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -69.23 -23.11 63.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.31 -17.12 35.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' HA ' HD23 ' A' ' 86' ' ' LEU . 6.7 mt -75.08 -164.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' GLU . 0.1 OUTLIER -109.45 18.81 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.76 -32.14 4.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.438 1.086 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.2 m-85 -116.31 -0.64 12.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 90' ' ' LEU . 1.9 tt -137.8 12.96 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 87' ' ' ASN . 2.4 mt-10 -178.52 -172.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -166.93 100.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.607 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.09 176.4 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.432 1.082 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.0 m80 63.62 -179.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.638 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 68.09 80.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.45 83.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.608 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.61 HG23 ' H ' ' A' ' 3' ' ' GLU . 4.3 tt -162.44 -62.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.61 ' H ' HG23 ' A' ' 2' ' ' ILE . 1.0 OUTLIER 65.92 130.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.6 t0 64.74 117.0 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.14 34.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 mtm -162.09 -72.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 9' ' ' ASN . 2.3 mt-10 -150.93 -74.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.66 ' ND2' HG21 ' A' ' 26' ' ' VAL . 3.1 t-20 62.88 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 7' ' ' GLU . 14.2 t-20 -44.21 -25.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -61.36 -75.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -20.75 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.917 ' CG ' HG21 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -76.44 -34.86 58.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.8 t -74.63 -36.52 62.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.08 HG11 ' CD2' ' A' ' 61' ' ' TYR . 85.9 t -76.48 -33.28 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.9 tp -69.41 -41.73 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.0 mtt -76.71 -47.09 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -56.21 -39.1 71.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.88 -53.61 8.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.861 HD11 HG22 ' A' ' 54' ' ' VAL . 2.5 pt? -175.1 115.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.91 -148.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.787 HD23 ' HA3' ' A' ' 39' ' ' GLY . 0.3 OUTLIER 178.78 -44.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.356 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.589 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 170.98 -62.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -127.83 176.22 7.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 110.317 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.917 HG21 ' CG ' ' A' ' 12' ' ' GLN . 25.8 m -139.99 161.6 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.915 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.0 m170 -146.02 117.87 8.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG21 ' ND2' ' A' ' 8' ' ' ASN . 2.9 m -114.53 91.99 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.17 144.61 31.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.3 -151.71 23.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -113.41 -59.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -177.44 -39.16 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 m -90.11 -59.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.975 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.817 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 10.5 p-80 -106.87 111.41 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.635 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' ' HB ' ' A' ' 70' ' ' VAL . 6.7 p90 -142.0 151.97 42.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -99.94 128.32 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.888 ' HB ' HD12 ' A' ' 72' ' ' ILE . 36.8 t -106.24 95.8 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.972 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.36 130.88 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.718 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.28 105.79 17.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.915 HG21 ' CE1' ' A' ' 25' ' ' HIS . 61.4 t -81.53 145.54 8.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.787 ' HA3' HD23 ' A' ' 21' ' ' LEU . . . 167.75 -150.01 15.76 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.35 16.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 42' ' ' PHE . 2.3 tm? -86.77 -46.45 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.739 ' CE1' HD12 ' A' ' 41' ' ' LEU . 19.0 m-85 -97.28 28.83 3.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -81.49 66.39 7.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.1 -20.2 0.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.09 166.03 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 0.767 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.0 t -83.14 124.73 30.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.014 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 8.7 ttp180 -36.41 -34.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 36.0 t -76.73 -71.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.19 -31.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.1 ttpm? -74.01 -52.31 13.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.4 mt-30 -66.3 -17.22 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.3 mt-30 -83.55 -43.48 15.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.448 HG23 ' CD1' ' A' ' 19' ' ' LEU . 4.3 t -82.41 -21.95 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.861 HG22 HD11 ' A' ' 19' ' ' LEU . 38.1 t -86.71 -48.18 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.6 t80 -84.39 -19.99 32.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -56.18 -53.23 44.17 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.462 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.0 -53.17 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.815 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.8 pp -85.66 40.53 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.56 -40.85 15.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 63' ' ' ALA . 4.0 mt-10 -69.56 -61.34 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 1.08 ' CD2' HG11 ' A' ' 14' ' ' VAL . 37.0 t80 -41.96 -44.18 3.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.574 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -71.06 -38.72 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -54.57 -34.46 61.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.35 -46.45 11.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -58.17 -16.98 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 65' ' ' ASN . 5.5 ttt85 -32.87 -35.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 30.3 pt -38.6 -31.14 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.458 ' N ' ' C ' ' A' ' 66' ' ' ARG . 5.1 m170 -118.04 -146.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.817 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -137.97 87.96 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.534 ' HB ' ' CE1' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -111.57 105.12 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 19.0 m -94.54 155.83 16.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.961 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.888 HD12 ' HB ' ' A' ' 35' ' ' VAL . 2.3 tp -138.67 116.63 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 8.5 mttt -136.32 109.66 7.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.706 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -74.89 111.91 10.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.5 m-85 -145.26 -178.2 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.72 -176.48 0.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -39.22 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.74 -23.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 5.8 tt0 -61.09 -27.81 68.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.328 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.972 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.41 -74.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.022 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.5 -52.67 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.6 ttm180 -61.04 -41.85 97.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.8 OUTLIER -61.65 -47.6 84.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.68 -26.9 64.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -85.83 -15.96 40.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.9 mt -70.41 -160.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -115.26 26.41 10.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.66 -29.73 2.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.549 1.156 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 11.5 m-85 -117.17 1.0 12.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.749 . . . . 0.0 110.955 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.694 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.6 OUTLIER -137.14 13.41 3.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.48 -76.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 90' ' ' LEU . 1.2 t-160 62.42 179.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.6 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.02 123.09 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.616 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -43.27 -63.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.22 65.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 109.563 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -48.88 111.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.619 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.553 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.495 0.188 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.529 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.6 OUTLIER -144.21 -165.87 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.9 mt-10 165.21 158.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.94 145.58 96.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 140.51 25.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.412 ' O ' ' CG ' ' A' ' 6' ' ' MET . 0.9 OUTLIER 168.62 93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 15.1 mt-10 -51.47 -97.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.498 ' O ' HD11 ' A' ' 11' ' ' ILE . 1.2 t-20 74.41 4.0 4.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.351 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -85.62 -19.4 31.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.4 OUTLIER -61.29 -73.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.13 -31.85 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.891 ' HG2' HG21 ' A' ' 24' ' ' VAL . 1.3 mt-30 -72.21 -39.26 68.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 10' ' ' GLU . 22.9 t -68.45 -39.65 81.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -74.79 -28.64 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.786 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.9 tp -74.11 -32.47 63.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.7 -42.62 21.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -63.47 -43.31 97.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.712 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -60.13 -61.12 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.602 HD13 ' HZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 108.39 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -73.57 -149.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.014 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.591 HD21 ' H ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 172.59 -46.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 9.9 tp60 173.26 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -127.04 177.51 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.891 HG21 ' HG2' ' A' ' 12' ' ' GLN . 11.6 m -143.23 161.38 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.64 ' CE1' HG21 ' A' ' 38' ' ' VAL . 14.8 m80 -141.16 114.51 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -106.97 80.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.34 122.38 27.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.985 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' HA2' ' CD1' ' A' ' 33' ' ' PHE . . . -98.79 162.02 20.32 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.07 -62.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.578 0.811 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 175.84 83.94 0.06 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.4 m 89.01 -29.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.566 0.804 . . . . 0.0 110.041 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.705 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 12.3 p-80 -122.55 124.98 44.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.591 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' CD1' ' HA2' ' A' ' 28' ' ' GLY . 2.3 m-85 -125.61 141.83 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.635 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 32.9 tp60 -89.13 116.38 27.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 HG21 HG23 ' A' ' 70' ' ' VAL . 2.4 t -102.48 99.41 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.934 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.45 150.97 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -112.51 102.72 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 25' ' ' HIS . 77.9 t -79.5 148.89 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.49 -118.72 0.84 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 1.7 tt0 -172.14 -37.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 30.0 tp -36.82 -62.08 0.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.602 ' HZ ' HD13 ' A' ' 19' ' ' LEU . 9.0 m-30 -85.58 42.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 62.0 t0 -97.1 66.16 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.85 -15.32 1.76 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.113 . . . . 0.0 111.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.489 ' HE1' ' CE1' ' A' ' 42' ' ' PHE . 1.9 tpp -55.71 145.8 22.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.5 t -66.16 119.53 11.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -38.53 -32.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.268 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 10.0 p -71.84 -53.24 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 2.9 tmtm? -65.68 -35.15 79.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.852 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 1.9 ttpm? -66.87 -75.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 2.3 mt-30 -45.35 -34.0 2.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 25.9 tt0 -63.0 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.529 HG22 ' CD1' ' A' ' 19' ' ' LEU . 1.2 m -52.29 -19.72 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 50' ' ' LYS . 84.1 t -84.74 -30.01 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.561 ' CD1' ' HG2' ' A' ' 59' ' ' MET . 14.1 t80 -85.48 -30.15 23.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.457 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -44.64 -53.55 7.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.112 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.712 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.95 -55.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.885 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.9 pp -84.6 39.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HG2' ' CD1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.36 -50.45 7.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 61' ' ' TYR . 22.1 pt-20 -73.7 -52.87 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.533 ' CG ' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -43.96 -43.99 6.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 65' ' ' ASN . 1.0 OUTLIER -72.62 -47.97 48.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -40.05 -42.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.29 -36.33 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.534 ' ND2' ' CG1' ' A' ' 70' ' ' VAL . 0.3 OUTLIER -57.75 -17.06 13.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 65' ' ' ASN . 34.3 ttt85 -32.34 -35.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.1 pt -37.17 -40.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.504 ' CG ' HG13 ' A' ' 67' ' ' ILE . 1.8 m-70 -116.22 -145.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.589 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.705 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -149.83 92.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 70' ' ' VAL . 0.2 OUTLIER -110.83 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.493 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 3.6 m -80.57 148.76 30.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.483 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -131.36 113.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -142.15 109.38 5.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.852 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.1 112.83 16.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.1 m-85 -142.5 -177.37 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.479 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -85.59 -178.56 1.18 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.87 1.39 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.62 -26.14 32.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.69 -28.04 65.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.934 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -64.05 -74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -37.98 -52.51 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -41.6 88.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -65.09 -47.1 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -69.11 -24.61 64.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.05 -16.29 38.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.505 ' HA ' HD23 ' A' ' 86' ' ' LEU . 4.3 mt -71.1 -163.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -111.49 23.1 14.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.07 -29.36 3.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.4 m-85 -116.94 -0.08 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.61 ' O ' HD23 ' A' ' 90' ' ' LEU . 1.7 tt -139.55 13.92 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 90' ' ' LEU . 1.8 tp10 33.64 89.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.453 ' HB2' HD23 ' A' ' 90' ' ' LEU . 74.9 t60 -127.86 51.97 1.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.604 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -172.08 -43.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.77 100.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -168.6 82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.57 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -57.47 162.45 2.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.639 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.98 -43.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -132.76 10.47 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.72 71.09 1.48 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.4 Cg_endo -75.02 57.34 4.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.453 1.764 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 3.1 mtt 167.37 -31.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 60.78 76.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -94.44 20.91 7.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -78.04 -21.9 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -50.6 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.855 ' CG2' HG21 ' A' ' 35' ' ' VAL . 8.7 mt -68.32 -24.92 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.865 ' CD ' HG21 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -76.45 -37.18 57.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 22.3 t -72.3 -35.69 68.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.035 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.723 HG21 ' CG ' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -75.44 -34.47 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 ' CG1' ' A' ' 35' ' ' VAL . 8.9 tp -68.67 -40.38 80.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -42.57 59.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 13' ' ' SER . 17.5 m-20 -59.65 -41.84 91.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.97 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -64.99 -42.65 94.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 171.82 121.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -79.46 -152.6 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 42' ' ' PHE . 1.9 tp 175.48 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.3 mm-40 156.8 -63.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -125.27 167.6 14.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.865 HG21 ' CD ' ' A' ' 12' ' ' GLN . 33.0 m -127.43 150.18 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.512 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -138.5 113.33 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.593 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 26' ' ' VAL . 11.4 m -116.41 91.49 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 1.1 m -96.53 127.04 42.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.508 ' CA ' ' HB3' ' A' ' 33' ' ' PHE . . . -143.52 168.49 26.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 173.14 83.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 127.05 -48.91 0.94 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.614 ' CA ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER 165.6 -28.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.987 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.709 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 18.1 p80 -96.01 102.57 14.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' CE1' ' CA ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -119.81 138.24 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.629 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 3.1 tt0 -94.72 144.83 25.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.918 ' CG1' HD22 ' A' ' 15' ' ' LEU . 59.2 t -114.12 84.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.903 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -86.55 119.16 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.698 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -83.74 110.28 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 55.9 t -77.26 157.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 147.91 -109.39 0.46 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.102 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 164.86 -22.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 110.288 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -43.2 -47.53 6.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.808 ' HB2' HD21 ' A' ' 21' ' ' LEU . 2.1 m-85 -89.04 27.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 40' ' ' GLU . 3.4 p-10 -96.48 13.35 28.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.66 0.59 5.88 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 tpp -109.58 151.15 27.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t -65.87 149.0 50.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.3 ttp-105 -57.48 -31.96 66.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 t -71.18 -65.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -32.06 36.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.625 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.2 ttmm -77.26 -29.93 54.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -74.88 -39.72 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.54 -30.43 57.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -81.19 -29.29 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 50' ' ' LYS . 51.6 t -86.68 -42.24 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 62' ' ' ILE . 12.4 t80 -84.97 -19.6 31.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.461 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.88 -53.44 39.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.123 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.97 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.4 Cg_endo -74.98 -51.75 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.892 ' CD1' HD12 ' A' ' 62' ' ' ILE . 2.2 pp -86.34 39.93 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.22 -42.71 13.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -70.74 -68.7 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.723 ' CG ' HG21 ' A' ' 14' ' ' VAL . 22.7 t80 -36.47 -48.97 0.7 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.892 HD12 ' CD1' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -64.69 -46.88 90.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.89 -43.34 6.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -43.93 63.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -57.75 -17.52 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 65' ' ' ASN . 22.4 ttt180 -31.69 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 17.4 pt -36.62 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 6.8 m-70 -119.78 -145.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.709 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -138.32 85.01 2.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG ' ' A' ' 65' ' ' ASN . 5.5 m -103.5 91.46 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.32 164.77 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.479 ' CD1' ' HB ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -155.81 133.76 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -164.9 118.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.623 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -78.84 105.44 10.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.493 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 12.8 m-85 -135.92 -178.34 5.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.484 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.3 p -83.37 -178.66 1.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.484 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.5 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.26 -28.69 31.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 75' ' ' TYR . 7.3 tp10 -52.78 -37.4 59.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.903 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.27 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 108.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.22 -51.56 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.237 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -57.07 -39.93 75.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.56 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.7 OUTLIER -69.39 -45.39 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -70.79 -19.92 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.56 -17.67 33.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.5 mt -76.39 -167.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.06 17.91 22.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.86 -29.08 5.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.629 ' CZ ' ' OE1' ' A' ' 34' ' ' GLN . 13.2 m-85 -121.09 -0.27 10.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.677 ' O ' HD23 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -135.31 11.06 3.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.08 45.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -58.94 -174.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -141.32 -65.98 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.597 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 41.21 73.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.533 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -103.88 -58.85 1.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.614 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.23 144.07 26.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.583 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.6 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.503 0.192 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 3' ' ' GLU . 4.8 tp -174.36 -48.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 2' ' ' ILE . 4.0 mm-40 69.56 134.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.41 153.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.14 3.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.46 1.768 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.02 -34.95 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 70.17 82.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -101.04 27.86 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -79.07 -20.56 48.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.3 OUTLIER -67.21 -45.31 77.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.316 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.796 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -65.04 -32.46 58.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.555 ' CD ' HG21 ' A' ' 24' ' ' VAL . 14.0 mt-30 -74.92 -40.83 60.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 13.9 t -68.73 -28.59 66.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.038 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 70.6 t -77.99 -42.67 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 37' ' ' ALA . 10.3 tp -59.42 -43.19 93.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 19' ' ' LEU . 22.5 mtt -78.17 -41.29 35.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' CB ' ' O ' ' A' ' 13' ' ' SER . 31.6 m-20 -54.76 -32.54 60.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -84.38 -50.91 7.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD11 HG22 ' A' ' 54' ' ' VAL . 0.4 OUTLIER -147.49 -119.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 1.4 m 158.42 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -169.68 -42.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 1.2 mt-30 157.24 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' HG12 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -112.43 174.33 5.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG21 ' CD ' ' A' ' 12' ' ' GLN . 16.1 m -134.88 151.29 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.66 ' CE1' HG21 ' A' ' 38' ' ' VAL . 36.2 m80 -141.54 108.59 5.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.931 HG12 HG22 ' A' ' 35' ' ' VAL . 28.7 m -106.39 96.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -100.22 142.61 31.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.22 -146.56 15.33 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -124.63 -88.45 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' O ' ' OG ' ' A' ' 31' ' ' SER . . . -157.41 59.72 0.34 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.61 ' OG ' ' CE1' ' A' ' 68' ' ' HIS . 2.4 m 167.55 -62.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 110.038 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.83 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 31.9 p-80 -106.55 97.53 7.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.591 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.88 ' CE1' HG12 ' A' ' 70' ' ' VAL . 18.3 p90 -136.56 155.85 49.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -103.03 142.32 34.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.931 HG22 HG12 ' A' ' 26' ' ' VAL . 89.9 t -114.77 99.66 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.939 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.69 127.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.718 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -88.53 102.63 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.66 HG21 ' CE1' ' A' ' 25' ' ' HIS . 3.4 t -75.75 151.19 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.14 -100.36 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 2.7 mt-10 163.14 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.237 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' HG ' ' CD1' ' A' ' 42' ' ' PHE . 7.4 tp -35.12 -64.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.9 m-85 -88.62 42.25 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 32.8 p-10 -87.48 11.1 15.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -146.41 13.49 1.6 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.4 ' SD ' ' CD2' ' A' ' 42' ' ' PHE . 1.2 ttm -91.39 164.56 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 0.78 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 48' ' ' VAL . 46.6 t -90.84 127.23 36.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.6 tmm_? -36.45 -33.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' SER . 99.2 t -75.69 -72.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.278 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -45.37 -36.44 4.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HZ2' ' N ' ' A' ' 51' ' ' GLN . 4.4 ttpp -62.95 -63.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.3 mt-30 -59.56 -18.53 41.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -74.19 -47.96 32.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -19.0 34.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.584 HG22 HD11 ' A' ' 19' ' ' LEU . 3.4 t -86.47 -47.14 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 62' ' ' ILE . 10.9 t80 -86.59 -21.4 26.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.511 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.76 -50.32 58.41 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.02 -52.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -86.79 38.06 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.554 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.31 -39.52 19.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 20.8 tt0 -67.76 -69.68 0.3 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.753 ' CE2' HG21 ' A' ' 14' ' ' VAL . 27.6 t80 -38.31 -51.1 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -60.39 -44.02 95.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -49.66 -43.6 47.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.62 -23.44 45.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.47 -16.54 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' C ' ' O ' ' A' ' 65' ' ' ASN . 7.5 ttt180 -31.34 -37.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.542 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.1 mm -37.57 -32.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.61 ' CE1' ' OG ' ' A' ' 31' ' ' SER . 3.1 m170 -124.42 -166.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.625 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.83 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -121.03 84.58 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.88 HG12 ' CE1' ' A' ' 33' ' ' PHE . 3.0 m -106.65 92.75 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 5.6 m -82.44 161.63 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.556 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -152.05 130.71 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -155.14 122.67 5.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.558 ' HA ' ' HB3' ' A' ' 37' ' ' ALA . . . -78.97 115.38 18.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.505 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 m-85 -145.38 -178.08 5.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -86.16 -178.39 1.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.02 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.546 1.814 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.89 -27.34 36.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.505 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 4.1 tp10 -53.9 -35.73 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.939 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.91 -41.38 97.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' ' HE2' ' A' ' 85' ' ' LYS . . . -58.74 -58.67 7.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -57.19 -48.73 78.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.226 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.2 m-20 -55.02 -45.17 75.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -74.35 -24.07 59.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' HE2' ' HB1' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -85.95 -16.51 38.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 82' ' ' ARG . 4.0 mt -72.64 -162.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.79 21.77 14.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.94 -31.66 3.8 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 9.8 m-85 -117.48 1.03 12.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -138.53 12.97 2.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -173.39 -173.75 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.501 ' CG ' ' C ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER 177.77 71.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.617 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -76.76 166.88 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.617 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 66.05 119.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.57 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -86.27 113.23 22.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.626 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.58 74.17 1.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.505 0.193 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.754 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -173.77 -148.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.754 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.2 pt-20 -120.26 -170.78 2.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -113.7 97.23 43.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.49 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.19 -44.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -156.4 -143.58 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.863 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.8 m120 83.01 -3.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -72.52 -19.89 61.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -58.24 5.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.88 ' CG2' HG21 ' A' ' 35' ' ' VAL . 1.4 mp -59.84 -31.74 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -72.94 -35.3 66.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.1 t -69.42 -37.03 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -74.66 -33.74 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 37' ' ' ALA . 1.3 tp -66.37 -39.58 89.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 5.2 mtt -76.55 -41.34 46.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m-20 -58.87 -40.6 84.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.869 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -70.77 -40.17 72.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.85 HD23 ' HZ ' ' A' ' 42' ' ' PHE . 2.0 tp 177.83 110.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 2.6 m -75.15 -151.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.687 HD13 ' CD2' ' A' ' 42' ' ' PHE . 0.6 OUTLIER 175.63 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER 158.6 -66.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.5 mt-10 -117.02 173.05 6.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -142.02 160.05 20.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.634 ' CE1' HG21 ' A' ' 38' ' ' VAL . 15.2 m80 -140.73 134.23 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.611 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG21 ' HB3' ' A' ' 8' ' ' ASN . 2.7 p -119.41 80.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 29.4 t -76.43 157.25 32.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.6 174.39 48.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 178.8 152.66 0.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 109.269 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 109.97 -21.39 25.12 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.1 m 157.24 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.577 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 6.6 p-80 -121.25 117.36 26.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.579 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -148.97 139.99 22.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 71' ' ' SER . 2.8 tt0 -91.34 141.47 28.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.88 HG21 ' CG2' ' A' ' 11' ' ' ILE . 47.3 t -113.58 95.64 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.944 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -91.97 142.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.67 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -102.39 102.5 12.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.634 HG21 ' CE1' ' A' ' 25' ' ' HIS . 95.8 t -79.73 146.38 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.463 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 165.4 -110.71 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.1 mt-10 178.12 -31.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.545 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.6 tp -40.32 -49.39 2.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.85 ' HZ ' HD23 ' A' ' 19' ' ' LEU . 12.6 m-85 -85.19 35.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.543 ' N ' ' O ' ' A' ' 40' ' ' GLU . 13.8 t70 -96.7 72.22 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.26 -20.97 1.08 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 37.9 ttm -65.19 152.5 43.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 0.799 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 48' ' ' VAL . 6.6 t -74.12 122.22 22.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' HG3' ' HZ1' ' A' ' 50' ' ' LYS . 42.3 ttp180 -37.28 -33.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 46' ' ' SER . 77.5 t -75.26 -70.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.11 -35.41 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.749 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 5.9 ttpt -69.43 -75.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 55' ' ' TYR . 3.5 tm0? -38.54 -34.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.9 tt0 -65.39 -72.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -51.2 -20.33 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.485 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 22.2 t -84.6 -31.33 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 8.1 t80 -85.48 -34.77 21.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -42.21 -52.61 5.03 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.142 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.869 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.01 -58.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.549 1.815 . . . . 0.0 111.031 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pp -84.23 40.19 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CE1' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.58 -40.75 15.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -73.34 -66.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -37.12 -44.04 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -71.86 -46.67 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.244 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -43.49 -40.39 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -40.41 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.537 HD21 HG13 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -55.41 -19.14 8.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.2 ptm180 -35.99 -32.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 65' ' ' ASN . 16.3 pt -41.74 -37.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -113.51 -147.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.645 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -141.46 89.01 2.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 70' ' ' VAL . 20.0 m -112.5 98.32 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.822 ' O ' HD12 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -72.16 163.43 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.979 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -154.55 123.15 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -161.72 120.04 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.749 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -80.57 118.28 22.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 20.5 m-85 -145.03 -178.42 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.511 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -84.34 -177.26 0.92 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.01 -40.26 0.95 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -79.11 -30.97 44.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.545 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -50.81 -33.86 25.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.944 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -70.32 -37.68 74.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' CE ' ' A' ' 85' ' ' LYS . . . -59.8 -53.04 62.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 86' ' ' LEU . 4.0 ttt85 -67.92 -51.83 43.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.786 ' HA ' HD12 ' A' ' 86' ' ' LEU . 1.8 m-20 -48.27 -44.75 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -76.09 -27.86 57.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -75.89 -18.41 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 83' ' ' ASP . 2.9 mt -86.76 -146.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' A' ' 91' ' ' GLU . 0.0 OUTLIER -137.53 25.38 2.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.02 -37.31 3.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.7 ' HE2' HD11 ' A' ' 36' ' ' ILE . 5.8 m-30 -114.93 -9.28 12.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 111.043 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -109.33 0.82 19.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 83.35 -177.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.438 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.3 OUTLIER 73.12 -177.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.557 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 92' ' ' HIS . 1.3 m-70 -178.87 175.81 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.663 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -116.63 -58.58 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.467 1.105 . . . . 0.0 109.584 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 95' ' ' HIS . 4.3 p80 -150.46 58.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.602 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 41.94 86.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.609 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.8 p80 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.565 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.507 0.194 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.55 122.12 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.74 121.8 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.77 144.5 0.37 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.5 Cg_endo -74.96 123.54 7.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 0.6 OUTLIER 161.33 92.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 13.9 pt-20 -60.1 -146.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.519 ' HB3' HG21 ' A' ' 26' ' ' VAL . 11.5 m-20 75.3 3.41 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -84.14 -19.69 33.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -63.67 -53.11 56.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.879 HG22 HD11 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -67.49 -19.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.74 ' HG2' HG21 ' A' ' 24' ' ' VAL . 6.7 mt-30 -80.77 -38.08 29.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 8.2 t -71.34 -35.06 71.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.607 HG11 ' CE2' ' A' ' 61' ' ' TYR . 23.5 m -76.19 -44.01 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 tp -57.4 -45.59 84.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.46 ' CG ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -75.21 -40.38 59.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.6 m-20 -52.41 -34.79 49.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.863 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -73.21 -50.0 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.735 HD22 ' HE2' ' A' ' 42' ' ' PHE . 0.3 OUTLIER -154.38 -110.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.647 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 3.0 m 145.71 154.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.511 HD11 ' CD2' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -133.75 -44.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.16 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER 163.53 -72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -107.91 176.32 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.74 HG21 ' HG2' ' A' ' 12' ' ' GLN . 3.5 m -135.53 154.17 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.654 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.6 m80 -143.97 107.81 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.921 HG12 HG22 ' A' ' 35' ' ' VAL . 16.9 m -105.38 92.92 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.1 t -101.32 147.16 26.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 131.81 -148.79 19.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -118.8 -155.3 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -92.86 70.37 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.5 m 159.0 -75.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 0.768 . . . . 0.0 110.049 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.915 ' HA ' ' HB3' ' A' ' 69' ' ' ALA . 38.8 p-80 -93.13 103.91 16.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.485 ' CE1' HG12 ' A' ' 70' ' ' VAL . 6.2 p90 -145.47 165.9 27.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 71' ' ' SER . 1.3 tm0? -116.38 126.65 53.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.241 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.921 HG22 HG12 ' A' ' 26' ' ' VAL . 29.5 t -102.48 104.28 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.93 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -98.3 131.34 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.645 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.45 103.34 15.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG21 ' CE1' ' A' ' 25' ' ' HIS . 22.1 t -77.06 155.02 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 157.06 -100.63 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.8 mt-10 164.06 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 0.772 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' GLU . 22.9 tp -36.78 -60.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.735 ' HE2' HD22 ' A' ' 19' ' ' LEU . 12.0 m-85 -90.56 39.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.03 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' GLU . 39.6 p-10 -81.88 71.38 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 143.36 -18.54 2.27 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 33.9 tpp -53.12 147.58 9.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.76 . . . . 0.0 111.005 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' VAL . 12.9 t -67.57 118.83 11.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.999 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' SER . 42.0 ttp85 -38.37 -30.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' SER . 73.8 t -74.5 -54.4 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -62.05 -39.2 91.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.778 ' O ' HG23 ' A' ' 54' ' ' VAL . 8.3 ttmt -59.04 -62.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.572 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -62.48 -19.1 63.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -72.34 -47.65 48.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.699 HG22 HD23 ' A' ' 19' ' ' LEU . 1.2 m -85.25 -19.93 30.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 96.3 t -84.46 -46.49 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' HE1' HG21 ' A' ' 62' ' ' ILE . 3.5 t80 -85.34 -34.29 21.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.496 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -41.36 -51.03 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.863 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.05 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.865 HD12 HG13 ' A' ' 62' ' ' ILE . 1.9 pp -84.31 40.23 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -87.56 -40.75 13.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 111.006 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.4 OUTLIER -68.26 -69.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.607 ' CE2' HG11 ' A' ' 14' ' ' VAL . 69.3 t80 -38.29 -40.81 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.865 HG13 HD12 ' A' ' 58' ' ' LEU . 23.0 mm -71.42 -48.12 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.75 -40.07 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -79.75 -41.03 27.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -58.46 -17.65 22.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 65' ' ' ASN . 17.9 ttt85 -33.61 -35.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.5 pt -39.13 -30.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.358 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 66' ' ' ARG . 19.6 m-70 -119.43 -146.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.575 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.915 ' HB3' ' HA ' ' A' ' 32' ' ' HIS . . . -138.33 101.24 4.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.669 HG23 HD12 ' A' ' 62' ' ' ILE . 10.7 m -127.5 99.76 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.474 ' CB ' ' HG2' ' A' ' 34' ' ' GLN . 2.5 m -100.13 118.17 35.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.879 HD11 HG22 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -106.7 126.97 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 2.3 mtpt -146.84 131.73 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.74 ' HB3' ' CD ' ' A' ' 50' ' ' LYS . . . -86.26 125.77 33.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.592 ' CE1' ' NZ ' ' A' ' 50' ' ' LYS . 12.0 m-85 -158.01 -177.99 6.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.517 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -89.98 -176.72 0.68 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.97 -38.02 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.479 1.778 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.25 -30.1 38.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 1.2 tp10 -54.24 -31.58 53.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.93 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.87 -42.73 85.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 107.984 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -59.06 -59.08 6.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 86' ' ' LEU . 7.5 ttt-85 -58.59 -47.92 82.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 13.1 m-20 -54.17 -46.47 72.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -73.51 -24.84 60.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -85.92 -14.86 43.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.508 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.4 mt -71.85 -162.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 91' ' ' GLU . 0.7 OUTLIER -114.26 26.33 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.299 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.88 -29.96 2.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 9.9 m-85 -115.92 1.29 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' ' 91' ' ' GLU . 1.4 tt -129.92 6.36 5.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.525 ' CG ' ' HA ' ' A' ' 87' ' ' ASN . 7.5 pt-20 170.91 -179.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.46 140.2 39.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -92.17 177.17 6.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.598 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -41.33 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -145.96 -57.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 41.95 78.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.598 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.515 0.198 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -164.48 175.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.51 125.81 33.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -142.83 168.55 12.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.3 Cg_endo -75.02 153.16 41.46 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.821 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.42 ' CB ' ' O ' ' A' ' 5' ' ' PRO . 2.9 mtt 166.57 104.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -61.2 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.33 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.592 ' HB3' HG21 ' A' ' 26' ' ' VAL . 6.1 m-20 84.05 -6.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.03 -25.47 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.94 -68.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.682 HD12 ' CG2' ' A' ' 35' ' ' VAL . 35.2 pt -49.13 -27.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.839 ' OE1' HG21 ' A' ' 24' ' ' VAL . 1.1 tt0 -75.5 -46.94 29.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 17.5 t -59.77 -28.35 67.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.2 t -78.08 -47.53 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.2 tp -54.77 -48.57 72.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' LEU . 37.5 mtt -71.19 -41.14 70.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.1 m-20 -53.51 -32.92 52.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.967 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -74.83 -47.76 28.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 53' ' ' THR . 1.1 mp -156.97 -108.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER 162.32 -165.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.985 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.961 HD11 ' HB2' ' A' ' 42' ' ' PHE . 0.1 OUTLIER 178.6 -45.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.549 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.5 mt-30 155.65 -71.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 3.1 mt-10 -111.5 173.53 6.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG21 ' OE1' ' A' ' 12' ' ' GLN . 29.4 m -129.07 150.64 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.456 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -139.71 104.07 4.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.65 HG12 HG22 ' A' ' 35' ' ' VAL . 27.0 m -105.67 98.1 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 1.5 m -110.35 162.18 14.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.942 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.74 -138.19 7.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.77 -65.12 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.25 -41.98 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.572 ' O ' ' CE1' ' A' ' 33' ' ' PHE . 6.6 m -99.83 -47.23 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 0.0 110.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 7.5 p80 -104.91 112.02 25.0 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 0.0 109.585 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.67 ' CE2' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -146.74 153.0 39.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 35' ' ' VAL . 1.6 tt0 -103.81 141.09 36.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.682 ' CG2' HD12 ' A' ' 11' ' ' ILE . 47.7 t -110.77 95.91 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.81 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -95.3 122.17 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 21' ' ' LEU . . . -83.81 107.05 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 23' ' ' GLU . 40.8 t -77.04 153.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 155.72 -112.45 0.53 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 5.7 tt0 178.89 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' C ' ' O ' ' A' ' 40' ' ' GLU . 55.9 tp -34.55 -66.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.366 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.961 ' HB2' HD11 ' A' ' 21' ' ' LEU . 5.2 m-85 -83.52 45.45 1.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 23.0 t0 -100.99 72.41 1.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.92 -21.0 0.78 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.88 165.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.794 . . . . 0.0 111.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' VAL . 41.9 t -92.66 129.42 38.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 46' ' ' SER . 21.5 ttp180 -38.27 -29.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 46' ' ' SER . 71.3 t -75.05 -68.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -54.78 -37.74 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 2.4 ttmm -59.95 -64.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 4.0 mm-40 -60.64 -18.51 53.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -72.36 -50.87 23.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.99 -19.04 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 ' CG1' ' CG2' ' A' ' 72' ' ' ILE . 12.3 t -85.48 -49.36 15.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.799 ' CE1' HG21 ' A' ' 62' ' ' ILE . 5.9 t80 -86.45 -18.84 30.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.05 -50.93 57.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.967 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -74.98 -55.71 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.604 HD11 HG21 ' A' ' 72' ' ' ILE . 1.7 pp -84.3 40.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -86.92 -55.14 3.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.97 95.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 110.283 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.04 -53.33 58.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.799 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -63.89 -32.25 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 66' ' ' ARG . . . -57.05 -52.6 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -64.32 -36.19 83.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.57 -18.14 62.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 9.3 tpt85 -34.52 -33.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 65' ' ' ASN . 48.8 pt -40.16 -29.6 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.444 ' N ' ' C ' ' A' ' 66' ' ' ARG . 21.4 m-70 -112.19 -144.85 0.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.604 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -143.64 69.08 1.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.67 ' O ' HG23 ' A' ' 70' ' ' VAL . 17.6 m -101.06 92.44 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.9 m -77.28 166.79 22.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.604 HG21 HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -152.87 137.14 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -162.48 133.06 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.592 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -87.16 117.2 25.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.584 ' CD1' ' CD ' ' A' ' 79' ' ' GLU . 9.2 m-85 -153.53 -178.97 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.5 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.77 -177.46 0.88 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.1 Cg_endo -75.05 -38.8 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.01 -23.26 36.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.584 ' CD ' ' CD1' ' A' ' 75' ' ' TYR . 8.3 tt0 -60.1 -33.49 72.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.81 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -60.68 -75.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 107.997 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 85' ' ' LYS . . . -39.23 -52.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -55.06 -39.25 69.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -71.81 -44.38 64.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.429 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -69.06 -23.09 64.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.99 -17.83 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 ' O ' HD12 ' A' ' 90' ' ' LEU . 6.7 mt -71.32 -164.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.459 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.3 m-20 -109.7 23.84 13.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.98 -30.16 3.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 10.7 m-85 -120.18 -0.87 10.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.959 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -119.12 -5.96 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.543 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.5 OUTLIER 87.65 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.0 44.63 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.612 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.53 -174.72 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 59.25 168.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.563 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.467 ' CG ' ' N ' ' A' ' 96' ' ' HIS . 35.5 t60 -178.82 167.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.467 ' N ' ' CG ' ' A' ' 95' ' ' HIS . 32.3 t-80 72.34 -64.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.582 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.665 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -176.38 -164.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.665 ' N ' HG23 ' A' ' 2' ' ' ILE . 1.5 tt0 -142.38 -149.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -138.92 68.82 42.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.44 1.758 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.03 -60.51 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.51 37.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.707 ' HB2' HG11 ' A' ' 26' ' ' VAL . 8.5 p30 -83.27 5.3 23.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -68.21 -23.62 64.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -54.26 36.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.997 HG21 HG21 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -69.15 -22.54 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.899 ' HG3' HG21 ' A' ' 24' ' ' VAL . 2.2 tt0 -76.02 -35.85 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -41.42 63.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 61' ' ' TYR . 27.7 m -73.8 -32.06 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 37' ' ' ALA . 12.5 tp -70.06 -40.31 75.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -45.58 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -65.4 -27.18 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 14' ' ' VAL . . . -85.77 -43.32 13.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.763 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 177.39 109.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.433 ' O ' ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -84.75 -151.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.582 ' CD1' ' CD2' ' A' ' 42' ' ' PHE . 0.4 OUTLIER 174.52 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 3.9 mt-30 156.8 -67.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 1.4 mp0 -116.91 170.21 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.899 HG21 ' HG3' ' A' ' 12' ' ' GLN . 9.8 m -139.24 163.56 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 38' ' ' VAL . 23.3 m80 -147.76 131.69 17.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.601 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' ' 8' ' ' ASN . 13.9 m -126.5 90.44 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -97.28 133.39 41.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.63 -153.92 25.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.55 -61.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.762 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -178.13 -37.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.599 ' HA ' ' CE1' ' A' ' 68' ' ' HIS . 37.9 m -83.84 -63.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.814 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 22.8 p80 -111.24 115.2 28.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.541 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 25.2 p90 -147.04 159.48 43.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.421 ' NE2' HG13 ' A' ' 36' ' ' ILE . 14.9 tm0? -100.24 131.79 45.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.997 HG21 HG21 ' A' ' 11' ' ' ILE . 35.8 t -110.4 99.69 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.053 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -93.52 138.05 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -98.89 102.24 13.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 25' ' ' HIS . 76.9 t -77.23 148.28 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.475 ' HA2' ' HB2' ' A' ' 22' ' ' GLN . . . 161.21 -118.96 0.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -173.57 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 110.26 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 25.6 tp -38.46 -55.52 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.763 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 7.7 m-85 -86.71 38.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 40' ' ' GLU . 52.9 t0 -104.24 72.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 151.21 -19.66 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 166.43 8.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.442 ' C ' ' N ' ' A' ' 48' ' ' VAL . 30.2 t -87.33 124.93 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 54.3 ttp85 -39.24 -29.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.442 ' N ' ' C ' ' A' ' 46' ' ' SER . 50.5 t -77.64 -59.15 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -58.69 -31.03 67.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.765 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -75.98 -43.72 43.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 3.2 mm-40 -69.89 -19.68 63.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 1.0 OUTLIER -84.88 -41.56 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 ' O ' HD12 ' A' ' 19' ' ' LEU . 3.4 t -81.58 -23.56 37.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 50' ' ' LYS . 53.3 t -86.11 -46.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 10.0 t80 -84.85 -19.06 33.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.043 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -54.95 -53.04 42.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 56' ' ' GLY . 18.2 Cg_endo -75.0 -50.74 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.544 1.813 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.2 pp -87.75 39.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.1 OUTLIER -84.72 -41.89 15.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -70.51 -65.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.906 ' CE2' HG21 ' A' ' 14' ' ' VAL . 6.2 t80 -36.77 -44.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.729 HD12 HD12 ' A' ' 58' ' ' LEU . 2.5 mt -70.1 -48.71 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -41.01 -39.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' ILE . 15.2 m-20 -84.47 -38.17 20.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -57.86 -16.82 13.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.3 ttt180 -31.57 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.521 ' N ' HD13 ' A' ' 67' ' ' ILE . 4.2 mm -37.28 -33.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.599 ' CE1' ' HA ' ' A' ' 31' ' ' SER . 0.4 OUTLIER -125.86 -164.7 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.646 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.814 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -124.01 89.31 3.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 70' ' ' VAL . 10.5 m -110.91 94.48 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.23 152.79 34.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.062 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.531 HG21 HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -140.65 112.81 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 3.5 mttt -139.85 119.8 13.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.34 118.94 22.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 12.1 m-85 -149.89 -179.22 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.485 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.1 p -89.07 -178.48 1.03 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.485 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -36.56 2.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.47 1.773 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -84.34 -23.71 30.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 5.5 tp10 -59.7 -34.54 73.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 1.053 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -55.16 -72.08 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.584 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.2 -39.76 10.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 0.9 OUTLIER -59.9 -35.68 75.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -84.25 -51.8 6.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -61.26 -30.87 70.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.6 ptmm? -86.78 -15.93 37.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.519 HD23 ' HA ' ' A' ' 86' ' ' LEU . 2.6 mt -75.27 -159.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.11 20.18 16.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.08 -33.75 3.63 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' CB ' ' HA ' ' A' ' 84' ' ' ARG . 7.1 m-85 -113.76 -0.04 14.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -136.6 11.77 3.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' O ' ' CB ' ' A' ' 92' ' ' HIS . 0.0 OUTLIER -165.12 -158.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 2.8 t60 85.9 178.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -72.08 -44.08 63.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.614 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.446 ' CB ' ' O ' ' A' ' 93' ' ' HIS . 0.1 OUTLIER 166.8 -72.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.607 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 96' ' ' HIS . 66.8 t60 -175.3 164.35 3.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.432 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 6.9 p-80 -84.61 119.87 25.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.583 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.3 p80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.62 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.504 0.192 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.708 HG23 ' N ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -173.85 -162.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.708 ' N ' HG23 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -162.82 123.91 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -89.68 128.12 51.75 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.534 1.808 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.0 ptt? -142.91 -52.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.537 ' O ' ' CB ' ' A' ' 8' ' ' ASN . 3.5 pt-20 -172.42 -169.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.881 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.7 m-20 84.66 -1.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -83.96 -20.18 33.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -74.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.588 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -46.68 -27.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -73.59 -44.63 56.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 18.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.664 HG21 ' CE2' ' A' ' 61' ' ' TYR . 38.7 t -76.6 -39.33 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.027 HD21 ' HB2' ' A' ' 37' ' ' ALA . 53.2 tp -67.04 -33.4 75.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.1 mtt -82.81 -39.84 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 13' ' ' SER . 9.7 m-20 -63.24 -32.7 74.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -80.93 -54.8 5.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.977 HD21 HG22 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -175.45 105.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.626 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -68.75 -146.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.626 HD12 ' O ' ' A' ' 20' ' ' SER . 0.2 OUTLIER 173.98 -43.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.578 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 4.5 tt0 172.32 -69.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.32 -178.3 4.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.254 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.839 HG23 HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -137.16 163.32 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.669 ' CE1' HG21 ' A' ' 38' ' ' VAL . 31.2 m80 -147.95 119.08 7.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.881 HG21 ' HB3' ' A' ' 8' ' ' ASN . 15.9 m -114.89 95.1 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -99.71 132.27 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.65 -143.85 10.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.06 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -120.17 -91.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 0.764 . . . . 0.0 109.339 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -160.29 74.26 0.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.505 1.128 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.626 ' OG ' ' CE1' ' A' ' 68' ' ' HIS . 2.0 m 158.11 -60.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.764 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.837 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 47.6 p-80 -117.07 97.26 5.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -136.03 168.66 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 24.6 tp60 -103.04 124.08 47.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 ' HB ' HD12 ' A' ' 72' ' ' ILE . 16.4 t -103.51 99.18 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.005 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -94.96 130.77 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.027 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -91.15 105.26 17.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.669 HG21 ' CE1' ' A' ' 25' ' ' HIS . 2.7 t -75.85 145.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 161.86 -149.94 18.89 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -154.29 16.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.586 ' HB3' HD11 ' A' ' 21' ' ' LEU . 1.9 tm? -73.01 -59.75 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CE2' HD11 ' A' ' 19' ' ' LEU . 19.9 m-85 -91.69 35.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -76.25 66.21 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.03 -16.69 1.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.11 167.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 47' ' ' ARG . 24.5 t -89.06 123.64 33.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 46' ' ' SER . 30.6 ttm180 -38.06 -35.02 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 52' ' ' GLN . 71.5 t -71.24 -58.33 5.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -28.83 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.707 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 13.4 ttpp -72.77 -75.95 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 0.3 OUTLIER -48.68 -25.65 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.499 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 22.8 tt0 -69.24 -60.32 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -17.77 63.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.365 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.977 HG22 HD21 ' A' ' 19' ' ' LEU . 96.6 t -85.54 -36.73 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 59' ' ' MET . 6.5 t80 -86.32 -22.79 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -50.01 -51.26 30.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.555 1.16 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.1 Cg_endo -75.05 -61.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.476 1.777 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.867 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.4 pp -79.84 38.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.606 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . 0.4 OUTLIER -80.8 -44.0 19.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -72.02 -56.32 5.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.664 ' CE2' HG21 ' A' ' 14' ' ' VAL . 54.8 t80 -44.12 -44.86 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.449 ' HA ' ' CB ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -67.97 -50.66 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.91 -44.4 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.92 -34.52 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.511 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -55.78 -18.49 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.485 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.5 OUTLIER -31.15 -38.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 65' ' ' ASN . 20.8 mm -37.96 -43.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.626 ' CE1' ' OG ' ' A' ' 31' ' ' SER . 2.7 m-70 -113.51 -167.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.837 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -128.45 81.79 2.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 70' ' ' VAL . 9.6 m -107.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 m -74.99 153.3 38.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.509 HD12 ' HB ' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -135.11 113.17 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 1.5 mptt -135.82 116.45 13.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.707 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -79.48 117.53 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.533 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 14.7 m-85 -153.26 -178.78 7.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.515 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -88.07 -176.52 0.71 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.515 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -75.0 -39.11 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.474 1.776 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.88 -26.58 34.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -57.33 -30.4 64.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 1.005 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.66 -74.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -37.69 -52.76 1.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -56.95 -41.04 77.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.542 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -67.14 -44.94 78.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -24.61 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.1 OUTLIER -86.49 -17.31 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 86' ' ' LEU . 6.3 mt -76.22 -164.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -109.7 19.75 18.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.92 -32.65 4.63 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.167 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.44 -0.52 11.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.651 ' O ' HD23 ' A' ' 90' ' ' LEU . 1.2 tt -135.69 12.33 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.43 -175.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 9.7 p80 -153.44 87.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.607 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -163.82 161.71 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.569 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.61 158.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -173.9 132.38 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -52.04 138.54 24.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.619 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.621 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mt -75.14 153.02 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.84 129.42 1.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' N ' ' HD3' ' A' ' 5' ' ' PRO . 13.3 t70 48.67 65.13 7.51 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' N ' ' A' ' 4' ' ' ASP . 18.3 Cg_endo -74.95 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.532 1.806 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 170.05 -70.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -151.61 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.728 ' HB3' HD11 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -91.98 24.27 3.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -82.72 -20.59 35.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -68.57 -54.42 16.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.728 HD11 ' HB3' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -58.02 -25.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.408 ' O ' ' SD ' ' A' ' 16' ' ' MET . 1.3 tt0 -77.78 -52.21 9.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 8.3 t -63.11 -27.89 69.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.054 HG11 ' CE2' ' A' ' 61' ' ' TYR . 74.5 t -79.05 -47.62 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.015 HD21 ' HB2' ' A' ' 37' ' ' ALA . 8.8 tp -57.67 -35.37 70.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' O ' ' A' ' 19' ' ' LEU . 1.1 mpt? -85.0 -36.72 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 13' ' ' SER . 36.5 m-20 -64.26 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.75 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.66 -47.48 9.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -145.57 -121.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.354 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.674 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 160.09 -168.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.738 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.3 OUTLIER 175.96 -40.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.54 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER 157.59 -72.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' HB3' ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -118.85 178.77 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.92 163.33 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.502 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -154.71 84.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.583 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.643 HG21 ' CB ' ' A' ' 8' ' ' ASN . 3.3 m -92.8 117.67 36.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 p -127.8 155.59 43.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.087 . . . . 0.0 110.007 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' O ' ' CB ' ' A' ' 29' ' ' ASP . . . 128.76 -162.36 22.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER 160.88 149.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . 106.72 -31.56 8.11 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.118 . . . . 0.0 110.982 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.575 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.9 OUTLIER 153.13 -20.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.664 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 16.5 p-80 -115.63 126.82 54.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -145.2 149.74 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.524 ' HG3' ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.48 123.76 47.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.656 HG21 ' HB ' ' A' ' 11' ' ' ILE . 71.5 t -98.57 94.31 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.799 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.1 OUTLIER -93.06 124.24 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.015 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -88.77 109.29 20.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 67.3 t -76.31 153.81 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 40' ' ' GLU . . . 153.76 -101.63 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 43' ' ' ASP . 0.3 OUTLIER 156.94 -18.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' GLU . 54.2 tp -38.54 -57.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.738 ' CD1' HD11 ' A' ' 21' ' ' LEU . 5.1 m-85 -87.12 36.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.539 ' CB ' ' O ' ' A' ' 40' ' ' GLU . 28.5 t70 -86.77 67.92 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.76 -19.8 1.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 46' ' ' SER . 9.7 tpp -60.3 144.25 50.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 49' ' ' LYS . 3.4 t -62.85 117.74 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.6 ttm180 -38.34 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 49' ' ' LYS . 7.2 p -75.27 -53.57 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -66.24 -24.74 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' ' 74' ' ' ALA . 2.3 ttpt -78.96 -47.97 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 25.1 tp60 -68.02 -32.09 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 49' ' ' LYS . 4.9 pt20 -75.55 -38.38 59.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.2 m -80.07 -25.53 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 23.2 t -86.43 -43.36 16.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 1.035 ' CE1' HG21 ' A' ' 62' ' ' ILE . 17.6 t80 -84.66 -18.34 35.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.451 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.09 -53.61 39.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.436 1.085 . . . . 0.0 110.949 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.75 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -75.03 -51.97 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.809 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.809 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -85.44 39.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.58 ' HG2' ' CE2' ' A' ' 55' ' ' TYR . 0.2 OUTLIER -86.31 -52.76 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 pm0 -62.51 -44.73 95.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 1.054 ' CE2' HG11 ' A' ' 14' ' ' VAL . 35.5 t80 -61.93 -60.26 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' CE1' ' A' ' 55' ' ' TYR . 2.2 tt -54.91 -29.79 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -63.31 -49.67 73.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -33.12 74.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.6 OUTLIER -78.89 -17.7 55.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 65' ' ' ASN . 64.0 ttt-85 -34.32 -33.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.0 pt -38.24 -39.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.409 ' O ' ' O ' ' A' ' 66' ' ' ARG . 18.0 m-70 -102.07 -143.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.653 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.664 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -142.26 64.45 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 70' ' ' VAL . 12.4 m -94.84 89.19 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.439 ' C ' ' OE1' ' A' ' 34' ' ' GLN . 7.9 m -73.52 168.97 18.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.46 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -153.91 121.86 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -144.94 129.49 18.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.705 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -85.45 117.22 24.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HE1' ' HZ1' ' A' ' 50' ' ' LYS . 9.0 m-85 -149.17 178.5 8.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' OE1' ' A' ' 79' ' ' GLU . 1.3 p -83.99 -179.0 1.3 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -74.96 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.505 1.792 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.54 -20.3 29.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' OE1' HG23 ' A' ' 76' ' ' THR . 5.0 tt0 -60.3 -31.92 70.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.799 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.64 -72.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 80' ' ' TRP . . . -38.44 -51.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.38 -38.92 85.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.554 ' N ' ' O ' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -67.34 -43.19 82.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.236 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -75.32 -20.48 59.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 81' ' ' ALA . 0.0 OUTLIER -86.5 -17.89 32.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 86' ' ' LEU . 9.8 mt -80.54 -166.89 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -105.38 13.05 30.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.45 -34.63 7.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE1' ' HG3' ' A' ' 34' ' ' GLN . 13.0 m-85 -121.57 -0.88 9.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.652 ' O ' ' C ' ' A' ' 91' ' ' GLU . 1.4 tt -140.18 13.6 2.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.652 ' C ' ' O ' ' A' ' 90' ' ' LEU . 12.1 mt-10 13.67 93.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -98.58 174.89 6.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.549 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -59.83 145.71 44.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 109.639 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.19 143.33 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.619 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -44.13 -56.33 4.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.627 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -43.47 107.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.564 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.595 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.502 0.191 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -174.79 -179.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.77 134.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 173.13 108.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 158.51 41.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.792 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 171.46 84.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -83.83 -141.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 12.4 t30 77.36 1.64 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 12' ' ' GLN . 7.2 t-20 -84.88 -32.72 23.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' C ' ' N ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -41.38 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.488 ' HB ' HG21 ' A' ' 35' ' ' VAL . 12.1 pt -40.39 -29.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 10' ' ' GLU . 4.1 tt0 -79.15 -69.7 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 7.8 t -43.56 -27.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -80.88 -50.12 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 35' ' ' VAL . 43.4 tp -56.75 -31.92 65.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.92 -34.15 21.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 13' ' ' SER . 6.5 m-20 -66.92 -33.8 76.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.771 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.4 -53.17 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD22 ' CZ ' ' A' ' 42' ' ' PHE . 0.1 OUTLIER -177.49 111.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -72.82 -150.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.6 OUTLIER 175.0 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 3.3 tt0 170.43 -62.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -124.3 171.94 9.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 12' ' ' GLN . 17.3 m -138.62 159.03 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.47 ' CE1' HG21 ' A' ' 38' ' ' VAL . 30.0 m80 -143.95 111.21 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.619 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG11 HG13 ' A' ' 11' ' ' ILE . 2.9 m -104.64 74.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 7.3 m -89.36 170.3 10.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.25 -159.79 31.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -127.45 -62.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.11 -43.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.052 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' O ' ' CE2' ' A' ' 33' ' ' PHE . 5.6 m -97.47 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.691 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 2.5 p80 -97.47 138.3 35.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.603 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.604 ' HD2' HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -136.44 137.68 40.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.438 ' OE1' ' CZ2' ' A' ' 80' ' ' TRP . 3.8 tm0? -95.6 116.0 28.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 15' ' ' LEU . 46.7 t -100.5 92.71 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -94.65 128.23 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.723 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -94.46 113.64 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.47 HG21 ' CE1' ' A' ' 25' ' ' HIS . 87.0 t -86.07 155.53 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 160.81 -117.13 0.75 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -178.74 -34.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.273 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 57.4 tp -40.08 -53.23 2.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 6.4 m-30 -90.26 36.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 40' ' ' GLU . 23.7 t70 -91.26 69.14 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.1 -18.28 1.38 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.5 ttm -52.25 150.32 4.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.3 t -72.51 119.23 16.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 46' ' ' SER . 4.1 ttp-105 -36.82 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 46' ' ' SER . 80.8 t -73.65 -57.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -59.74 -37.29 78.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.782 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -62.83 -72.73 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 5.5 mm-40 -52.61 -19.57 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 48' ' ' VAL . 41.4 tt0 -74.38 -46.66 38.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.498 HG23 HD13 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -83.28 -19.97 35.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.381 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 50' ' ' LYS . 38.7 t -86.35 -46.92 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 11.6 t80 -85.76 -20.24 29.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.476 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.14 -52.52 46.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.771 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.5 Cg_endo -74.97 -50.8 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.466 1.772 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.856 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -87.65 38.07 0.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -83.89 -39.38 19.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 63' ' ' ALA . 8.5 mm-40 -70.82 -65.59 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.07 -44.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 55' ' ' TYR . 0.9 OUTLIER -68.78 -47.43 76.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . -42.67 -45.4 4.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -37.79 56.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.2 OUTLIER -60.02 -16.8 33.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -31.06 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASN . 14.9 tt -36.96 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' HG23 ' A' ' 67' ' ' ILE . 13.9 m170 -121.5 -146.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.691 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -146.51 84.12 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 70' ' ' VAL . 26.7 m -104.85 92.76 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.9 m -75.8 155.49 35.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.77 HG12 HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -144.09 120.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.7 OUTLIER -145.14 122.23 11.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -82.83 107.37 15.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CG ' ' HG2' ' A' ' 79' ' ' GLU . 8.4 m-85 -134.99 -178.05 4.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.46 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.2 p -85.71 -179.78 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.391 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.2 Cg_endo -75.0 -37.41 2.04 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.82 -23.68 33.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 75' ' ' TYR . 5.8 tp10 -61.95 -30.95 71.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.865 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -63.67 -76.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' LYS . . . -38.85 -49.66 1.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -58.58 -40.82 84.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 80' ' ' TRP . 12.9 m-20 -68.54 -42.43 78.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HD2' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -70.95 -27.82 64.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.265 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' C ' HD23 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -86.36 -18.63 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.243 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.574 ' N ' HD23 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -106.93 -167.53 1.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.172 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -91.29 -5.83 54.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -46.95 -50.7 14.83 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CE2' ' HD2' ' A' ' 84' ' ' ARG . 18.6 t80 -116.85 -19.54 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.554 HD23 ' HB2' ' A' ' 92' ' ' HIS . 1.5 tp -91.05 -12.54 35.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 90' ' ' LEU . 11.5 mt-10 33.17 57.56 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.554 ' HB2' HD23 ' A' ' 90' ' ' LEU . 7.4 t-80 -91.13 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.7 143.25 12.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.46 168.35 19.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.568 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 66.13 155.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.633 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -130.12 169.43 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.565 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.592 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 mtp . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.444 0.164 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 3' ' ' GLU . 68.1 mt -146.39 167.1 7.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 2' ' ' ILE . 9.4 mt-10 72.57 130.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -138.47 70.25 46.01 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 94.47 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 179.52 67.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -88.62 -151.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 168.01 -34.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 12' ' ' GLN . 1.3 t30 -55.73 -19.22 10.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.623 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -45.7 -44.12 13.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pt -61.93 -33.0 55.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' ASN . 20.7 mt-30 -76.83 -60.38 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.6 t -50.92 -28.22 9.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.1 t -80.75 -41.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.083 HD11 ' HB2' ' A' ' 37' ' ' ALA . 5.6 tp -59.32 -34.75 72.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.0 mtt -83.59 -37.9 22.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -59.84 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -75.33 -39.98 58.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.725 HD22 ' CG2' ' A' ' 53' ' ' THR . 1.3 tp 174.42 118.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -84.96 -149.9 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.057 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.8 OUTLIER 176.88 -45.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.59 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER 170.73 -60.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -129.29 174.76 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.24 159.06 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' ND1' HG21 ' A' ' 38' ' ' VAL . 19.6 m80 -143.86 128.33 17.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.574 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' ' 26' ' ' VAL . 11.9 t -121.13 93.31 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.0 115.17 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.02 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.576 ' HA3' ' CD2' ' A' ' 33' ' ' PHE . . . -137.22 -147.65 5.31 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.82 -59.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' C ' ' CE1' ' A' ' 33' ' ' PHE . . . -163.97 -41.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.0 m -113.6 -38.17 4.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.723 ' CB ' ' HB3' ' A' ' 69' ' ' ALA . 30.7 p-80 -107.74 133.82 51.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CD2' ' HA3' ' A' ' 28' ' ' GLY . 4.6 m-85 -143.44 142.28 31.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' CB ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -97.81 124.28 42.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.853 HG12 HD22 ' A' ' 15' ' ' LEU . 10.1 t -103.35 95.1 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.011 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -88.97 129.45 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 1.083 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.28 101.26 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG21 ' ND1' ' A' ' 25' ' ' HIS . 80.4 t -76.69 146.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.492 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 167.09 -119.66 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 43' ' ' ASP . 2.1 mt-10 -178.02 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.1 tp -41.15 -52.13 3.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.664 ' CZ ' HD23 ' A' ' 19' ' ' LEU . 5.2 m-30 -90.1 33.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.517 ' N ' ' O ' ' A' ' 40' ' ' GLU . 31.1 t0 -84.05 68.19 9.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.61 -18.02 1.28 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.5 ttm -48.96 150.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.741 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' ARG . 29.5 t -74.39 126.12 30.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.8 tmm_? -37.94 -37.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 88.1 t -72.39 -68.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.0 -35.38 4.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.903 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -63.47 -73.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.584 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 11.2 mt-30 -52.34 -18.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -71.59 -51.44 23.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.725 ' CG2' HD22 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -83.68 -18.58 37.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.42 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 50' ' ' LYS . 24.2 t -85.36 -48.78 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.642 ' CE1' HG21 ' A' ' 62' ' ' ILE . 8.9 t80 -86.06 -19.53 30.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.464 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -55.32 -53.03 43.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.936 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.0 -50.95 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.416 1.745 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.89 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.1 pp -87.62 39.32 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.556 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -85.02 -39.86 17.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.004 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -70.48 -66.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -38.23 -49.92 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.642 HG21 ' CE1' ' A' ' 55' ' ' TYR . 1.1 mp -66.0 -43.27 92.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' GLU . . . -43.63 -49.1 7.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.24 -38.46 65.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.5 OUTLIER -59.06 -17.33 24.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' ASN . 2.1 ttm180 -33.33 -35.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.5 ' N ' ' O ' ' A' ' 65' ' ' ASN . 33.2 pt -38.85 -30.96 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 66' ' ' ARG . 4.8 m170 -118.64 -145.61 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.576 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.723 ' HB3' ' CB ' ' A' ' 32' ' ' HIS . . . -147.28 76.9 1.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.666 ' O ' HG23 ' A' ' 70' ' ' VAL . 18.7 m -102.24 93.25 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' OE1' ' A' ' 34' ' ' GLN . 73.4 m -77.73 161.6 27.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -146.19 123.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -144.28 117.81 9.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.836 ' HB3' ' HD2' ' A' ' 50' ' ' LYS . . . -76.89 114.36 15.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 73' ' ' LYS . 9.3 m-85 -144.24 -177.95 5.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -87.89 -178.69 1.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.08 -38.1 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.807 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 81' ' ' ALA . . . -81.94 -23.08 36.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.52 -35.81 70.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 1.011 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -61.4 -24.19 66.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.658 ' O ' ' HB3' ' A' ' 85' ' ' LYS . . . -84.57 -44.6 13.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.622 ' HA ' ' CE ' ' A' ' 85' ' ' LYS . 2.6 ttt180 -68.95 -21.45 64.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 14.1 m-20 -87.82 -49.66 6.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 80' ' ' TRP . 0.0 OUTLIER -71.47 -28.26 63.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.658 ' HB3' ' O ' ' A' ' 81' ' ' ALA . 1.5 pttp -84.5 -15.7 45.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 4.2 mt -76.92 -160.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.428 ' CB ' ' HB2' ' A' ' 92' ' ' HIS . 45.0 p-10 -111.83 18.41 18.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.19 -33.2 4.99 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 12.6 m-85 -118.1 0.06 11.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.535 ' O ' HD23 ' A' ' 90' ' ' LEU . 2.4 tt -140.8 14.24 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER 47.19 -175.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.428 ' HB2' ' CB ' ' A' ' 87' ' ' ASN . 4.0 t-160 -175.54 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.545 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.41 95.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.591 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 57.14 -167.84 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.624 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 64.32 125.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.618 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.9 172.09 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.587 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.494 0.188 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -172.56 -63.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.648 ' H ' HG23 ' A' ' 2' ' ' ILE . 1.6 pt-20 -156.81 -145.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -162.38 94.12 1.24 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 100.76 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.477 1.777 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER 172.73 39.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' C ' ' N ' ' A' ' 9' ' ' ASN . 2.7 mm-40 59.09 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.986 ' HB3' HG21 ' A' ' 26' ' ' VAL . 11.9 p30 42.72 27.45 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' N ' ' C ' ' A' ' 7' ' ' GLU . 13.6 t-20 -87.95 -74.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 12' ' ' GLN . 6.5 tt0 -42.66 -67.94 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.317 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.55 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -36.98 -33.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.9 ' HG3' HG21 ' A' ' 24' ' ' VAL . 1.7 tt0 -78.16 -57.73 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 t -49.37 -37.15 23.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.892 HG22 ' CE2' ' A' ' 61' ' ' TYR . 76.4 t -76.18 -41.23 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 37' ' ' ALA . 19.9 tp -57.75 -43.1 85.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -40.94 38.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -58.3 -33.48 69.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -85.22 -52.12 6.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 42' ' ' PHE . 0.2 OUTLIER -172.24 119.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -87.95 -151.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 22' ' ' GLN . 0.4 OUTLIER 175.26 -47.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.575 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 1.2 tp60 171.56 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.33 177.62 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 110.329 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.9 HG21 ' HG3' ' A' ' 12' ' ' GLN . 6.0 m -139.35 164.53 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.587 ' CE1' HG21 ' A' ' 38' ' ' VAL . 22.0 m80 -148.18 133.88 18.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.56 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.986 HG21 ' HB3' ' A' ' 8' ' ' ASN . 31.4 m -127.49 96.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -107.83 133.95 51.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.5 -137.19 5.11 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -127.08 -90.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 31' ' ' SER . . . -160.91 69.37 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 1.6 m 155.14 -57.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 0.735 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.762 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 -113.3 92.88 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.579 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.871 ' CE1' HG12 ' A' ' 70' ' ' VAL . 2.2 p90 -135.13 165.24 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.27 133.1 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 56.1 t -111.02 99.87 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.034 HD12 ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -92.3 138.45 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -99.54 103.95 15.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.587 HG21 ' CE1' ' A' ' 25' ' ' HIS . 75.3 t -78.56 148.2 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.487 ' HA2' ' CB ' ' A' ' 22' ' ' GLN . . . 165.03 -118.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -176.64 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.288 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 66.7 tp -37.47 -57.18 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 19' ' ' LEU . 3.4 m-85 -89.29 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 40' ' ' GLU . 14.2 t70 -93.6 70.76 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 149.1 -20.22 1.23 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 ttm -51.74 147.46 6.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 0.812 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.9 t -71.23 132.02 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' SER . 12.2 ttp85 -34.35 -66.34 0.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.703 HG13 ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -48.1 -73.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.703 ' H ' HG13 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -38.1 -32.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.81 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -71.39 -75.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -40.83 -38.19 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' TYR . 1.7 tt0 -67.06 -68.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -49.42 -22.1 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 50' ' ' LYS . 59.2 t -87.48 -32.21 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CE1' ' HG2' ' A' ' 59' ' ' MET . 5.5 t80 -84.71 -17.14 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.462 ' N ' ' CD ' ' A' ' 57' ' ' PRO . . . -59.66 -53.18 48.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.616 ' C ' ' H ' ' A' ' 59' ' ' MET . 18.4 Cg_endo -74.99 -73.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -69.57 38.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.616 ' H ' ' C ' ' A' ' 57' ' ' PRO . 2.6 tmm? -72.86 -45.98 55.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.94 -56.09 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.892 ' CE2' HG22 ' A' ' 14' ' ' VAL . 0.2 OUTLIER -46.94 -28.92 1.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.541 HD13 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -75.92 -59.16 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' ILE . . . -39.95 -37.22 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 66' ' ' ARG . 24.9 m-20 -85.91 -41.17 15.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 68' ' ' HIS . 1.9 t-20 -39.58 -32.47 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' O ' ' A' ' 65' ' ' ASN . 4.3 tpt85 -30.02 -41.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 65' ' ' ASN . 23.2 pt -41.55 -44.73 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 65' ' ' ASN . 1.6 m170 -113.05 -144.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.602 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.762 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -153.68 70.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG12 ' CE1' ' A' ' 33' ' ' PHE . 2.3 m -106.57 95.56 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.2 m -71.54 160.24 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.498 HG23 HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -136.76 122.8 28.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -143.94 116.87 8.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.81 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -80.63 112.1 17.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.564 ' CE1' ' HE2' ' A' ' 50' ' ' LYS . 17.1 m-85 -146.82 -178.55 6.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.54 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -88.58 -175.6 0.58 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.428 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.54 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.3 Cg_endo -75.04 -41.79 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.16 -27.9 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' CG ' ' OD1' ' A' ' 83' ' ' ASP . 2.2 tt0 -55.69 -30.31 60.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 1.034 ' CE2' HD12 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -67.43 -45.19 76.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.001 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 85' ' ' LYS . . . -55.87 -58.62 7.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 86' ' ' LEU . 3.0 ttt85 -58.96 -46.45 88.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.321 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.442 ' OD1' ' CG ' ' A' ' 79' ' ' GLU . 4.3 m-20 -57.19 -43.61 82.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -74.68 -26.86 60.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 81' ' ' ALA . 0.4 OUTLIER -85.59 -16.14 40.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -76.65 -163.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 91' ' ' GLU . 0.5 OUTLIER -114.13 24.46 11.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.8 -30.74 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -123.42 2.83 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.743 . . . . 0.0 110.964 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 90' ' ' LEU . 1.3 tt -138.0 13.15 2.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 87' ' ' ASN . 0.0 OUTLIER 177.39 55.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.333 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -93.67 77.99 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -164.22 115.48 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.612 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -174.23 -62.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.575 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.64 38.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.581 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -96.18 139.02 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.107 . . . . 0.0 109.571 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.619 179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.513 0.197 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 mm 67.75 150.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 176.02 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.265 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.18 149.85 52.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.13 8.41 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 8' ' ' ASN . 0.0 OUTLIER -179.6 47.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 110.999 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 65.71 -71.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.627 ' ND2' HG11 ' A' ' 26' ' ' VAL . 0.7 OUTLIER 66.75 -58.93 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 7' ' ' GLU . 38.3 t-20 -36.14 -35.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' HG22 ' A' ' 14' ' ' VAL . 4.3 mt-10 -60.59 -68.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.017 HG21 HG21 ' A' ' 35' ' ' VAL . 1.6 mp -57.16 -22.42 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.538 ' OE1' HG21 ' A' ' 24' ' ' VAL . 2.0 tt0 -76.06 -38.46 57.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.1 t -65.93 -42.2 90.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.497 ' CG2' ' HA ' ' A' ' 11' ' ' ILE . 5.2 m -76.23 -34.56 26.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 37' ' ' ALA . 6.6 tp -67.24 -38.02 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.7 mtt -79.86 -42.4 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -55.83 -41.88 74.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.821 ' HB1' ' HG2' ' A' ' 57' ' ' PRO . . . -71.07 -44.63 65.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.953 HD11 HG22 ' A' ' 54' ' ' VAL . 1.1 pp 177.18 121.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 m -102.2 106.88 17.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.005 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.927 HD11 ' CD1' ' A' ' 42' ' ' PHE . 0.6 OUTLIER -67.38 -33.34 75.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.539 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 2.3 mm-40 157.4 -69.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' CB ' ' HB ' ' A' ' 38' ' ' VAL . 5.0 mt-10 -107.53 170.84 7.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG21 ' OE1' ' A' ' 12' ' ' GLN . 1.9 m -132.36 149.83 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.088 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 38' ' ' VAL . 34.8 m80 -141.41 128.56 20.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.627 HG11 ' ND2' ' A' ' 8' ' ' ASN . 36.0 m -128.33 94.38 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.57 111.97 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -159.25 -151.26 6.07 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.552 1.157 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 166.11 113.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.83 -50.4 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.41 -38.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 0.773 . . . . 0.0 109.998 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.792 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 1.1 t-80 -80.81 98.42 7.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.813 ' CZ ' HG12 ' A' ' 70' ' ' VAL . 15.4 p90 -126.23 152.66 45.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.449 ' OE1' ' N ' ' A' ' 36' ' ' ILE . 5.6 tm0? -99.85 124.26 44.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.017 HG21 HG21 ' A' ' 11' ' ' ILE . 4.4 t -102.93 91.6 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.845 HG21 ' CD1' ' A' ' 80' ' ' TRP . 0.3 OUTLIER -99.41 127.06 52.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -92.84 114.65 27.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 25' ' ' HIS . 5.1 t -82.59 157.17 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.484 ' CA ' ' HB2' ' A' ' 22' ' ' GLN . . . 156.67 -106.0 0.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 43' ' ' ASP . 1.9 mt-10 164.71 -24.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 0.736 . . . . 0.0 110.258 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 40' ' ' GLU . 32.8 tp -37.54 -53.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 21' ' ' LEU . 3.5 m-85 -87.46 40.71 0.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.529 ' N ' ' O ' ' A' ' 40' ' ' GLU . 54.6 p-10 -91.92 10.51 28.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.087 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -147.27 15.87 1.49 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.29 163.67 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' VAL . 30.7 t -94.41 126.81 39.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.981 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' SER . 16.7 ttm105 -34.43 -32.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 65.5 t -75.46 -75.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.243 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -29.92 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.966 ' HD3' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -73.59 -43.26 60.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.554 ' O ' ' CB ' ' A' ' 55' ' ' TYR . 1.6 mt-30 -75.18 -17.96 60.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' VAL . 1.9 mt-30 -84.78 -38.06 20.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -82.68 -24.9 33.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.389 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.953 HG22 HD11 ' A' ' 19' ' ' LEU . 14.0 t -86.28 -47.26 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CD2' ' HG2' ' A' ' 59' ' ' MET . 8.3 t80 -83.5 -22.93 32.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 59' ' ' MET . . . -49.74 -54.41 17.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.821 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 18.2 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.901 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.3 pp -84.51 39.26 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG2' ' CD2' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -84.73 -48.11 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -68.55 -65.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 60' ' ' GLU . 1.4 t80 -36.08 -47.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.492 HG21 ' HE1' ' A' ' 55' ' ' TYR . 1.3 mp -71.95 -48.33 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -40.31 -36.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.47 -44.69 13.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.534 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -56.29 -17.7 8.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 65' ' ' ASN . 0.0 OUTLIER -33.8 -33.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.535 ' CG2' ' CE1' ' A' ' 68' ' ' HIS . 11.0 tt -38.69 -32.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' CE1' ' CG2' ' A' ' 67' ' ' ILE . 12.9 m80 -114.54 -147.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 32' ' ' HIS . . . -140.6 81.82 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.813 HG12 ' CZ ' ' A' ' 33' ' ' PHE . 3.0 m -108.66 95.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.7 m -77.44 152.47 34.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.555 HG23 ' CG1' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -139.17 118.37 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 1.5 mptp? -141.31 142.6 33.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -104.95 108.71 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.474 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 18.6 m-85 -141.47 -179.03 5.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.544 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.9 OUTLIER -87.94 -175.26 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.544 ' CD ' ' CB ' ' A' ' 76' ' ' THR . 18.4 Cg_endo -74.9 -38.3 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.467 1.772 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.99 -32.05 30.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' CG ' ' HB3' ' A' ' 75' ' ' TYR . 22.1 tt0 -51.17 -38.5 52.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.336 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.845 ' CD1' HG21 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -53.6 -72.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.574 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -46.26 -39.49 10.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 16.4 ttt85 -59.82 -34.58 73.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.47 ' HB3' ' CD2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -85.23 -51.38 6.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.435 ' HA ' ' CB ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -62.06 -30.47 71.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.574 ' CB ' ' O ' ' A' ' 81' ' ' ALA . 1.8 ptmm? -86.87 -15.79 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 82' ' ' ARG . 2.5 mt -75.18 -158.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 91' ' ' GLU . 4.5 p30 -113.21 17.6 18.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.359 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -101.79 -33.68 4.63 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.065 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 83' ' ' ASP . 6.4 m-85 -112.85 -0.69 14.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 0.759 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 90' ' ' LEU . 2.6 tt -142.91 15.8 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 90' ' ' LEU . 0.5 OUTLIER 50.57 176.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.491 ' CG ' ' N ' ' A' ' 93' ' ' HIS . 4.5 p80 -83.38 -52.45 6.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.491 ' N ' ' CG ' ' A' ' 92' ' ' HIS . 0.3 OUTLIER 64.64 149.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.603 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -63.96 99.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.64 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -103.13 114.29 28.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 48.1 t60 -68.49 91.52 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.603 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 -179.994 . . . . . . . . 0 0 . 1 stop_ save_