data_1kkg_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 1kkg _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 ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -84.67 -38.32 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -63.25 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.09 -41.01 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' CB ' ' HE1' ' A' ' 43' ' ' MET . . . -57.7 -36.13 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 13' ' ' GLN . 1.2 mm-40 -69.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.83 -38.39 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.08 -39.2 60.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.4 tm0? -64.91 -35.65 81.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.91 -38.14 58.04 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.6 tp10 -68.45 -43.36 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 3.8 pt -74.26 -36.65 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -63.06 -34.82 78.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.621 1.201 . . . . 0.0 109.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -71.96 -59.1 2.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 14.7 mt -60.88 -19.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.604 ' CD2' ' CG1' ' A' ' 54' ' ' VAL . 7.3 tt -85.07 -19.27 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 3.8 mt-30 -111.95 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.0 mtm180 -109.04 -62.08 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.464 ' CG ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.71 -21.16 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -78.4 179.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.85 73.12 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.87 -45.48 0.68 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -74.98 -21.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -81.51 -15.85 53.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 1.7 mp -110.59 14.55 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.94 37.41 0.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 76.6 mtm -150.51 155.35 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 128.83 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.403 HG21 ' CE2' ' A' ' 56' ' ' PHE . 9.4 p -91.61 165.46 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.5 m -135.23 164.77 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 37' ' ' THR . 69.0 t -127.02 80.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.29 33.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.51 136.67 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -142.52 127.27 18.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE1' ' CB ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.75 106.95 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.747 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.24 107.91 17.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.61 -5.58 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.88 -18.79 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.89 -71.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.554 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.67 61.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.747 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -155.88 133.96 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.582 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -139.75 164.95 28.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.76 113.66 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.68 145.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -112.64 141.4 46.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.604 ' CG1' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.77 122.92 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.41 131.08 55.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.098 . . . . 0.0 110.44 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.1 m-85 -123.23 168.13 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.77 17.41 24.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.518 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -57.58 -27.66 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' CG ' ' HB2' ' A' ' 102' ' ' SER . 5.8 t70 -41.37 -35.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -41.33 -43.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.59 120.42 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -66.94 -18.44 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -39.88 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.422 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.93 -24.02 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -76.45 -42.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 53.3 tttt -71.7 -56.2 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.76 -53.7 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.44 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -48.05 -61.84 4.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' HB ' ' O ' ' A' ' 65' ' ' VAL . 5.7 tt -52.36 -36.98 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.381 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.39 -35.75 76.48 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.16 68.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.512 ' CD1' HD12 ' A' ' 27' ' ' ILE . 16.4 tp -73.17 -24.12 60.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.56 -44.8 41.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -68.94 -33.48 73.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.63 10.47 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 35.4 t -55.12 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.37 -19.22 4.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.17 -43.06 54.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 97' ' ' PHE . 15.6 pt -71.71 -38.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -67.2 -46.68 73.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 t -71.72 -36.89 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -64.5 -33.04 74.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' O ' ' SD ' ' A' ' 87' ' ' MET . 13.5 mt -70.76 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.58 8.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.36 -40.05 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.54 -32.34 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -112.42 14.5 20.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 83.3 mtt180 22.42 78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' A' ' 91' ' ' ILE . 3.4 tp -119.25 -150.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.6 ptt-85 -148.12 -44.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.598 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -37.37 -36.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.1 t 23.75 60.12 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.99 157.2 42.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.26 66.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.582 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -72.8 90.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.7 t -68.41 161.65 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.37 103.55 10.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.057 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -92.35 121.36 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD2' HD13 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.91 103.33 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 1.5 t0 -105.31 87.88 2.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.87 -170.69 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.4 15.7 11.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -101.1 2.44 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.557 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.1 t -132.21 3.15 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 21.0 mt-10 -150.13 -38.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.37 -5.16 78.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -123.7 25.71 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 111.011 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' OE2' ' A' ' 105' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -78.51 -37.13 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.95 -59.08 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 15' ' ' MET . 45.2 t -54.76 -44.53 71.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.39 88.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.513 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.79 -70.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.19 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 15' ' ' MET . 7.8 pt-20 -38.73 -37.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.85 -42.86 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 2.3 tm0? -64.2 -35.3 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.54 -39.64 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.77 -41.3 83.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.212 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 3.8 pt -76.69 -38.54 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -59.04 -35.78 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -74.99 -59.41 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 68.4 mt -57.74 -21.01 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.616 ' CD1' ' CG1' ' A' ' 54' ' ' VAL . 10.3 tt -87.66 -16.59 33.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 7.5 mt-30 -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -114.52 -61.46 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG2' ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.85 -19.03 65.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.544 HG22 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -83.79 175.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.68 72.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.229 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.63 -46.24 0.61 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.9 -10.72 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.491 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -87.27 -25.8 23.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 28' ' ' LYS . 1.7 mm? -84.98 -22.7 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.91 21.18 58.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 34.3 mtm -146.07 151.79 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 ttp -88.66 101.17 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.6 p -60.72 169.8 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -145.42 162.99 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 69.0 t -127.88 85.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 13.57 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.41 124.44 1.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG22 ' CG ' ' A' ' 16' ' ' GLN . 38.3 t -148.29 128.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 0.805 . . . . 0.0 109.366 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' SD ' ' A' ' 43' ' ' MET . 5.5 mt-10 -140.42 129.05 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 2.0 mmm -127.75 107.18 9.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -111.8 106.2 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.077 . . . . 0.0 110.05 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -101.52 -3.74 27.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -48.27 -23.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -148.26 -63.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.639 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 163.03 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 18.8 m-85 -152.38 140.05 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -150.24 147.88 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 107.76 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 95' ' ' LEU . 2.9 t -104.53 114.92 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.216 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -91.07 153.32 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 111.045 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 2.7 m -153.34 122.8 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.91 133.61 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.416 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 5.0 m-85 -128.83 158.07 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' C ' ' SD ' ' A' ' 34' ' ' MET . 8.5 tp -90.62 11.45 22.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -52.24 -27.7 15.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 102' ' ' SER . 0.6 OUTLIER -40.18 -41.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.63 -42.55 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.98 117.34 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.41 -19.43 65.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -43.63 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.86 -19.44 44.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -74.79 -44.16 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 65' ' ' VAL . 3.4 tmtm? -74.26 -53.47 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.56 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.97 -61.89 6.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.567 HD13 ' CD1' ' A' ' 99' ' ' TYR . 5.3 tt -55.45 -31.82 28.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 7.0 tttm -66.44 -33.22 75.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.04 -42.05 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -68.02 -24.73 65.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -79.08 -49.86 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -59.99 -30.11 68.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -89.02 13.63 12.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.469 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.6 m -54.57 -72.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.58 -19.85 3.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.428 1.08 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.18 -43.49 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.393 0.702 . . . . 0.0 110.931 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.587 HD13 ' CD2' ' A' ' 97' ' ' PHE . 17.6 pt -70.51 -39.43 76.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -67.77 -46.28 72.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.197 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.1 t -72.27 -33.61 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 3.7 tt -66.14 -34.22 77.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' MET . 30.7 mt -71.41 -53.28 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.196 . . . . 0.0 109.306 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.55 -46.49 37.55 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -42.09 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.97 -30.52 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttm -113.67 13.14 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 87' ' ' MET . 12.4 mtm180 23.06 79.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 tp -120.47 -158.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.239 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 8.8 mtt180 -141.89 -42.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -36.98 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 95.8 t 24.14 59.71 0.38 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.0 Cg_endo -75.1 163.75 34.53 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.04 66.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -70.32 87.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 t -72.56 172.92 9.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CD2' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -130.53 111.56 12.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.57 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -104.71 119.93 40.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' HD13 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -97.24 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.514 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -108.93 92.29 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 8.8 p30 -98.04 -173.13 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 7.6 t -89.62 14.38 11.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 110.057 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.434 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -99.2 1.77 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -128.02 -3.51 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' O ' ' CE ' ' A' ' 107' ' ' MET . 5.1 mt-10 -142.63 -42.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.45 ' C ' ' OG ' ' A' ' 102' ' ' SER . . . 91.05 19.75 41.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -156.11 33.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -85.97 -32.34 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -50.42 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.78 -39.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.89 93.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.9 -65.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -41.58 -38.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 110.325 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.538 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 2.8 mtt -77.65 -36.07 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.526 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 2.6 tm0? -66.88 -34.67 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.6 pttt -77.14 -39.85 47.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -67.33 -43.65 81.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 4.8 pt -73.31 -40.8 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.9 -35.64 73.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.85 -62.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 59.1 mt -58.71 -19.82 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.6 ' CD1' ' CG1' ' A' ' 54' ' ' VAL . 8.7 tt -86.3 -17.09 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -112.21 -13.02 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -107.02 -64.13 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -63.6 -15.28 57.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -84.58 179.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.42 72.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.598 1.186 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.539 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.89 -54.5 0.3 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.84 18.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.06 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.6 -31.13 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HG2' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.84 77.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.483 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 30.1 mtm -145.35 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.06 150.12 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.501 ' HB ' ' CD2' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -112.02 172.16 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.2 m -134.43 167.47 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 37' ' ' THR . 4.5 t -122.33 74.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.13 7.93 12.22 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.76 128.18 2.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.526 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 1.2 p -147.92 123.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.79 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -133.11 126.42 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.477 ' HE3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -130.4 105.54 7.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.783 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.19 105.36 14.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -2.33 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.616 1.198 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -15.24 26.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.66 -71.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.23 58.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.783 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.8 p90 -154.05 132.09 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 43' ' ' MET . . . -135.97 162.18 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 99.97 3.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.359 1.037 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.83 128.25 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -97.02 152.45 18.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.6 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -153.19 127.29 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.29 129.37 56.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 3.4 m-85 -121.81 166.28 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -99.54 13.24 34.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.0 -21.04 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 3.7 t70 -47.67 -38.97 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.1 mtmt -40.02 -42.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.16 118.22 22.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.2 tt0 -67.17 -19.28 65.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -41.5 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.05 41.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.64 -42.76 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 4.7 ptmt -72.65 -55.11 7.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.332 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 66' ' ' LYS . . . -63.48 -53.33 53.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.21 5.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 70' ' ' LYS . 1.6 tt -52.81 -32.41 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -63.97 -35.23 80.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.71 -38.23 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 11.3 tp -71.75 -22.63 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -78.17 -46.74 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -67.16 -31.08 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -87.48 12.94 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.8 m -56.65 -74.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.52 -18.76 3.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.93 -42.29 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.583 HD13 ' CZ ' ' A' ' 97' ' ' PHE . 16.6 pt -72.54 -38.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.58 -45.68 74.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 t -73.67 -36.92 65.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' PHE . 7.7 tt -62.69 -37.71 87.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -69.15 -62.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.96 -41.08 3.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -79.52 -38.09 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' LEU . . . -62.03 -29.84 70.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 8.8 mtt -116.61 16.07 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.1 mtt85 22.34 77.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.42 HD21 ' CG1' ' A' ' 91' ' ' ILE . 6.7 tp -116.6 -148.68 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -153.05 -43.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.6 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -37.48 -34.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 91' ' ' ILE . 40.9 t 23.42 60.44 0.36 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.92 155.95 43.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.17 64.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -69.96 90.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -68.02 162.24 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.4 105.98 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -95.87 120.44 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 111.047 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' CD2' ' CD1' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.44 91.11 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.933 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.417 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 4.8 t0 -94.06 86.77 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -91.68 -172.35 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -89.14 12.27 16.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.43 ' CD2' HG11 ' A' ' 65' ' ' VAL . 2.7 tp -94.37 4.0 54.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 41.9 t -134.49 10.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.494 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 5.6 mt-10 -160.55 -39.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.01 -32.4 4.64 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.494 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -75.64 0.04 18.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' C ' ' OG ' ' A' ' 102' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 O-C-N 124.472 1.107 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' O ' ' HB1' ' A' ' 12' ' ' ALA . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.58 -34.44 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -52.35 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -62.11 -38.86 81.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -59.74 -37.93 80.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 16.8 mm-40 -70.56 -66.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -38.65 -41.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.471 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.8 -40.52 63.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.6 tm0? -62.05 -34.47 76.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -40.27 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.12 -43.12 83.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.526 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 4.0 pt -74.52 -39.43 47.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -57.73 -36.91 72.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -72.14 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 21.2 mt -58.65 -20.43 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.61 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 8.5 tt -88.14 -16.1 34.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.07 -5.33 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.223 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -116.28 -39.91 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -94.68 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.61 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.49 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.514 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -81.57 72.69 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.549 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -95.18 -54.75 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.62 1.2 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.07 -23.57 13.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' CD1' ' A' ' 32' ' ' LEU . 14.4 ttt180 -77.59 -42.0 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' CD1' ' HD3' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -87.41 10.74 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.82 55.53 1.09 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.432 ' HE3' ' ND2' ' A' ' 58' ' ' ASN . 14.4 mtm -150.82 177.47 10.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 0.715 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.15 83.93 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.582 1.176 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.515 HG23 ' CE2' ' A' ' 56' ' ' PHE . 45.1 p -53.02 156.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -133.4 162.43 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.26 79.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.67 23.73 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.01 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.28 133.59 2.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.606 1.191 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.514 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -150.83 132.83 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -139.66 126.92 21.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -131.95 106.66 8.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.749 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -111.37 107.45 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' HG2' ' CG2' ' A' ' 91' ' ' ILE . 0.7 OUTLIER -99.83 -6.09 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.41 -19.7 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.06 -70.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.8 63.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.231 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.749 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 52.2 p90 -156.7 130.89 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.7 163.67 30.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 104.0 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.35 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -102.41 124.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -89.3 151.88 21.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.373 1.046 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.542 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 1.3 m -153.73 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.62 1.2 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.71 136.47 52.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -130.67 159.45 37.19 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.83 16.78 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.508 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 1.1 t70 -40.24 -41.37 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 2.6 mtmt -39.9 -43.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.64 118.82 24.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.32 -21.15 65.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -44.13 66.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.374 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.19 -19.35 47.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.18 -41.75 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.6 1.187 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 10.6 tttm -75.84 -50.18 15.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.76 61.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.34 -60.67 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 3.3 tt -55.85 -37.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.335 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 5.7 ttpp -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 56' ' ' PHE . 21.3 mt -72.78 -25.91 61.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -51.92 9.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -63.19 -31.93 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.242 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.0 15.74 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.2 t -55.25 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.59 -19.23 4.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.54 -43.29 49.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 0.777 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.594 HD13 ' CE1' ' A' ' 97' ' ' PHE . 16.0 pt -71.32 -39.78 72.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -66.61 -46.92 74.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.7 t -71.18 -38.91 72.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 2.7 tt -60.47 -37.33 80.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.227 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.477 HD12 ' CG2' ' A' ' 22' ' ' ILE . 6.6 mp -68.45 -59.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.68 -41.3 5.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -78.67 -39.85 35.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 0.708 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 83' ' ' LEU . . . -62.94 -30.98 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.9 mtm -113.52 15.41 19.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.0 mtm180 22.2 83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 HD22 ' CG1' ' A' ' 91' ' ' ILE . 5.7 tp -126.58 -148.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -155.19 -41.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -36.78 -34.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.602 ' C ' ' O ' ' A' ' 91' ' ' ILE . 94.3 t 23.59 60.21 0.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.95 157.56 42.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.9 65.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -69.16 91.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.7 t -68.03 161.56 26.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.49 104.65 11.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.989 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.453 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -93.15 119.83 32.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.6 93.01 5.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 5.4 t0 -98.43 87.89 3.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -95.31 -173.05 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -87.23 16.2 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.945 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.428 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -98.8 2.2 46.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.59 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.3 t -135.11 6.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.464 ' O ' ' HE1' ' A' ' 107' ' ' MET . 0.5 OUTLIER -154.29 -40.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.18 -20.78 31.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.464 ' HE1' ' O ' ' A' ' 105' ' ' GLU . 2.0 mtm -103.05 17.02 25.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.445 ' HB2' ' HA ' ' A' ' 102' ' ' SER . 6.1 mmt180 . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.355 1.035 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -85.44 -26.12 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -70.98 -49.72 42.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.232 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HA ' ' CE ' ' A' ' 43' ' ' MET . . . -61.71 -41.41 97.58 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -69.12 -63.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -45.18 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.51 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -72.73 -38.91 67.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.5 tm0? -62.64 -33.29 74.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -76.28 -42.66 44.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.22 -41.99 89.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.4 pt -73.97 -44.21 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -53.57 -38.17 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.13 -56.8 5.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 69.6 mt -58.31 -22.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD22 ' CZ ' ' A' ' 97' ' ' PHE . 7.1 tp -87.67 -16.09 35.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 1.8 mt-30 -110.08 -7.85 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.86 -56.84 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.4 -11.25 60.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.95 179.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.25 69.59 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.84 -50.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -75.03 -1.35 11.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -34.92 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 4.3 mp -77.56 -20.39 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.26 55.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -126.01 165.38 18.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.402 ' HA ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -111.71 80.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.404 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 69.5 p -45.42 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 m -148.33 163.72 36.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.16 80.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 33.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.14 135.51 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.362 1.039 . . . . 0.0 110.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.518 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -155.06 132.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.759 . . . . 0.0 109.36 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' C ' ' HG3' ' A' ' 43' ' ' MET . 4.2 mm-40 -139.27 127.34 22.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.2 107.8 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.725 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -108.38 107.83 18.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -3.28 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -16.63 29.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -143.92 -72.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 161.05 62.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.725 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 49.9 p90 -158.86 137.55 11.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.128 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -141.75 162.66 34.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.55 108.02 4.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 95' ' ' LEU . 3.7 t -105.13 150.06 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -111.97 144.04 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -143.66 118.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -110.12 129.55 55.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 72' ' ' LEU . 6.5 m-85 -119.74 169.32 10.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.12 21.1 17.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.52 ' OD1' ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -62.07 -28.55 69.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 13.8 t70 -38.62 -42.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -38.75 -42.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 117.24 21.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' HG11 ' A' ' 65' ' ' VAL . 19.1 tt0 -66.85 -19.3 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -42.49 57.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.51 -20.53 43.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.58 -42.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' N ' HG11 ' A' ' 65' ' ' VAL . 1.9 tttm -72.94 -56.49 5.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -53.44 54.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 64' ' ' ALA . . . -49.86 -61.41 5.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 5.8 tt -53.48 -30.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -68.34 -34.38 76.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.34 -45.06 23.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -70.25 -19.77 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 41.2 mt-30 -80.05 -51.88 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -84.56 5.1 29.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 79' ' ' ILE . 26.2 m -52.45 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.04 -20.4 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -74.72 -44.06 51.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD13 ' CD1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -70.98 -37.65 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.6 -46.09 70.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 m -73.63 -35.32 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 5.6 tt -65.25 -34.37 78.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 22' ' ' ILE . 7.5 mp -69.94 -62.03 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.29 -47.46 6.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.56 -41.49 65.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.19 -33.75 72.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.7 ptp -110.74 12.29 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.584 ' C ' ' O ' ' A' ' 87' ' ' MET . 10.4 mtm180 23.45 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD22 ' CG1' ' A' ' 91' ' ' ILE . 4.6 tp -125.87 -153.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -145.24 -44.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -37.58 -37.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 47.4 t 24.25 60.03 0.39 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.1 Cg_endo -74.99 155.13 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.41 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 8.2 tt0 -66.76 66.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.214 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.509 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.33 89.3 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 t -67.7 166.24 15.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.646 ' CD1' HD13 ' A' ' 79' ' ' ILE . 1.7 t80 -122.71 113.03 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -98.88 112.22 24.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -86.77 104.63 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.45 86.11 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -94.62 -173.18 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.03 15.82 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.29 5.48 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.2 t -132.67 5.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 42.3 mt-10 -155.93 -37.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.04 -3.57 87.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.597 1.185 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.552 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 mtm -124.75 25.31 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.506 ' CD ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.901 -0.461 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 tp60 -77.73 -39.39 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.19 -52.08 67.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -39.65 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.78 89.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -70.84 -65.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.228 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -38.62 -44.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 0.0 110.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.519 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.01 -39.99 65.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.536 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.5 tm0? -61.69 -33.2 73.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -41.13 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -67.47 -37.52 83.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 15' ' ' MET . 4.9 pt -75.86 -44.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 24' ' ' GLN . . . -57.05 -34.5 68.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.09 -57.61 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 83' ' ' LEU . 57.5 mt -57.49 -24.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 11.8 tp -87.12 -14.59 40.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -109.96 -7.66 14.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -114.86 -50.52 2.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' CG ' ' HG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -76.81 -11.53 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -96.3 178.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.547 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.08 72.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.498 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.17 -52.88 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.0 0.75 8.53 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 8.2 ttt180 -90.16 -31.59 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 8.6 mp -81.84 -24.44 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.77 21.27 40.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mpp? -143.08 152.39 41.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 0.763 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpp -91.61 117.74 30.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -80.46 158.01 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.3 m -133.07 168.39 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' CG2' ' A' ' 37' ' ' THR . 49.0 t -132.67 91.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.36 18.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.36 131.34 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 3.5 p -143.14 127.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.46 122.68 28.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 19' ' ' ILE . 2.7 mmm -129.93 104.43 7.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -109.95 105.08 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -103.17 -4.97 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -52.59 -20.82 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.183 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -147.68 -70.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.54 62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.6 m-85 -147.84 144.26 28.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -158.21 163.35 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 109.08 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' CD2' ' A' ' 95' ' ' LEU . 4.2 p -104.73 131.06 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -101.54 144.12 30.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -144.46 122.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.91 130.86 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 3.4 m-85 -123.63 163.7 20.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.25 16.19 17.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.5 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -58.04 -30.86 66.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -38.89 -42.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.7 mtmt -39.05 -42.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.48 117.25 21.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.89 -20.1 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -42.91 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.5 -20.12 44.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.73 -42.47 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.69 -52.92 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.71 -53.11 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.79 -61.46 6.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.1 tt -56.39 -29.41 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 25.8 mttt -67.55 -33.4 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.16 -41.2 29.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.599 HD23 ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -70.27 -23.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.16 -52.0 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.42 -29.69 70.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.53 12.55 24.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.409 ' O ' HG12 ' A' ' 79' ' ' ILE . 12.7 m -56.27 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.34 -24.86 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.41 -43.99 68.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 110.943 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -66.42 -39.67 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -62.57 -43.22 99.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -76.06 -30.97 58.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -61.32 -45.31 94.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 9.4 mp -69.76 -48.44 59.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -52.09 -44.81 57.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.607 1.192 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -77.6 -42.3 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.5 -31.08 70.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.581 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.5 ttm -119.0 20.14 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.581 ' C ' ' O ' ' A' ' 87' ' ' MET . 27.7 mtp180 23.22 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -125.28 167.69 14.54 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' ILE . 3.8 ptt-85 -116.69 -40.66 3.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.6 pt -39.15 -32.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 75.1 t 23.68 59.4 0.35 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.7 Cg_endo -74.89 153.22 42.2 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.591 1.837 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.31 69.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -71.0 89.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -67.18 165.9 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -118.87 112.87 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -106.16 115.46 30.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.53 110.32 21.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -112.56 88.11 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -98.76 -173.58 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.22 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 102' ' ' SER . 1.2 t -89.6 15.4 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.437 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -99.88 3.1 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.7 t -130.27 -0.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 9.4 mt-10 -147.51 -41.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.49 9.41 72.39 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.4 OUTLIER -135.83 14.36 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.501 ' CD ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -77.71 -39.99 42.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.49 87.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' MET . 30.7 t -74.89 -34.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.404 1.065 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.527 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 5.4 mm100 -66.82 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.97 -42.03 1.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.527 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 13.5 mtp -75.58 -36.79 60.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.535 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.8 tt0 -64.06 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -77.15 -42.92 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.8 -41.28 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 15' ' ' MET . 5.4 pt -73.37 -49.27 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -52.59 -36.27 55.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -69.43 -60.67 2.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -57.64 -21.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 54' ' ' VAL . 13.7 tp -87.35 -17.17 33.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 6.4 mt-30 -111.65 -6.72 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.55 -57.65 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.632 1.208 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' OE2' ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.54 -18.24 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.2 178.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.19 72.37 1.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.26 -49.87 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -74.91 -14.73 21.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.558 1.82 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -80.32 -42.62 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.168 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 8.5 mt -71.23 -24.1 62.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 85.66 28.95 28.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.8 mpp? -145.35 172.22 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 ttm -115.96 105.15 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.609 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 41.2 p -72.37 158.1 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.0 m -135.07 161.97 33.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.63 88.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 22.77 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -174.11 138.63 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -149.84 124.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -139.07 136.7 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -139.18 106.26 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -103.97 106.93 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.892 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -100.58 -8.07 23.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.205 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -23.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -144.03 -72.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.64 60.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 4.0 m-85 -147.53 130.86 16.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 95' ' ' LEU . . . -136.15 159.8 40.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.402 1.064 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.81 115.62 9.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -114.17 119.63 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.494 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 28.7 t80 -85.28 153.9 22.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.628 1.205 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -158.01 130.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.11 130.57 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.372 1.045 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 2.1 m-85 -120.86 159.8 24.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 111.065 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.43 28.25 7.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -68.14 -24.96 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 2.7 t70 -43.0 -39.29 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.38 -43.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.6 118.62 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' HG11 ' A' ' 65' ' ' VAL . 24.6 tt0 -67.01 -19.59 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -41.73 60.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.29 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -77.16 -41.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -75.51 -50.37 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.41 -50.48 59.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.98 -61.28 7.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 1.5 tt -53.26 -38.37 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -33.86 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.6 -41.36 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.547 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -66.68 -20.44 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -49.79 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -61.0 -28.0 68.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -95.9 16.08 18.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 28.5 p -55.17 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.27 -20.15 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -73.46 -46.76 46.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 111.001 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 76' ' ' SER . 14.4 pt -66.27 -39.98 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -62.5 -45.08 94.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -27.36 61.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -64.9 -43.21 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.3 -44.26 6.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -76.16 -38.96 56.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.71 -32.07 70.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.576 ' O ' ' C ' ' A' ' 88' ' ' ARG . 10.6 ptp -121.95 21.62 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' C ' ' O ' ' A' ' 87' ' ' MET . 0.2 OUTLIER 22.85 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' CD1' HG13 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -118.23 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -119.94 -43.18 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.59 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.6 pt -40.75 -29.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.2 t 24.64 59.31 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.06 158.26 42.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.52 61.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -68.99 87.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -71.96 165.09 24.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.841 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 15.5 p90 -123.69 109.56 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -89.66 113.54 25.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.841 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.94 94.35 6.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -100.98 93.85 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.369 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 108' ' ' ARG . 24.1 m-20 -89.79 -171.16 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -90.77 16.39 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.85 6.21 45.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 9.6 t -131.58 3.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 63.6 mt-10 -155.26 -37.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.6 -9.14 78.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -149.77 25.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.964 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 2.3 tp60 -82.16 -40.4 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -56.12 -61.04 2.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.453 1.095 . . . . 0.0 110.349 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -41.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.26 74.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.531 ' NE2' ' N ' ' A' ' 13' ' ' GLN . 3.1 mm-40 -66.87 -68.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 1.9 mm-40 -41.03 -39.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.52 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.03 -38.25 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.7 tm0? -64.64 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.9 ptmt -75.69 -37.91 59.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.6 tp10 -69.21 -41.8 76.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.52 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.2 pt -75.8 -39.35 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -60.89 -35.61 77.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.06 -58.64 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.0 mt -58.92 -20.8 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 6.6 tt -86.62 -18.26 31.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -110.86 -7.61 14.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -111.37 -61.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.91 -14.37 61.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.71 -179.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.25 73.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.98 -50.38 0.64 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.01 -16.4 20.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.454 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 2.6 ttt180 -77.22 -25.91 52.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 mt -87.66 -22.29 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.31 60.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.433 1.083 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 14.9 mtm -142.55 165.5 27.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 0.781 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -103.88 121.25 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.529 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 62.6 p -84.95 164.8 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.3 m -141.56 168.0 20.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 37' ' ' THR . 46.3 t -127.21 89.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 30.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.893 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.85 143.83 5.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 11.0 p -152.2 138.7 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' LYS . 10.6 mt-10 -144.93 134.78 23.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.484 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -140.56 109.03 5.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.788 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -110.52 107.38 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 91' ' ' ILE . 3.6 mtp180 -100.48 -1.4 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -16.37 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.211 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.3 tp -144.81 -71.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 160.3 57.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.788 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.5 p90 -151.81 135.55 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -141.86 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -143.21 120.75 11.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 19' ' ' ILE . 1.3 p -118.66 136.1 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -89.35 146.56 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 22.9 m -146.67 119.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.97 124.24 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 54' ' ' VAL . 6.5 m-85 -114.67 161.85 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' SD ' ' A' ' 34' ' ' MET . 9.7 tp -95.9 16.3 18.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.38 -32.31 71.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.7 OUTLIER -40.72 -34.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 1.052 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 59' ' ' ASP . 12.4 mtpt -43.08 -46.31 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.9 122.92 33.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.5 -23.22 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.362 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.78 71.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.21 -18.83 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.96 -43.19 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -75.99 -48.35 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.7 -52.12 53.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.58 -61.1 7.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.57 HD13 ' CD1' ' A' ' 99' ' ' TYR . 3.6 tt -53.14 -34.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.23 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.23 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.587 HD22 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -70.91 -21.73 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -45.74 18.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -27.71 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 28' ' ' LYS . . . -95.23 17.97 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 11.2 t -58.18 -74.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.24 2.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -46.04 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 76' ' ' SER . 13.5 pt -67.83 -39.63 82.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.06 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -63.37 -44.91 93.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -71.18 -36.54 72.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 1.185 . . . . 0.0 109.979 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.513 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -58.83 -41.94 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.381 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.404 ' O ' ' SD ' ' A' ' 87' ' ' MET . 2.1 mt -67.09 -65.62 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -40.44 -51.01 3.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -39.65 79.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.72 -31.09 69.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -113.37 12.56 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 16.7 mtt180 22.36 74.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.112 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 91' ' ' ILE . 1.4 tp -112.64 -153.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.4 ptm180 -142.91 -46.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.1 pt -39.92 -33.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 28.9 t 23.4 61.73 0.37 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.06 157.85 42.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.99 59.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -69.83 90.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.384 1.053 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 t -82.97 166.23 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CE2' HD22 ' A' ' 72' ' ' LEU . 16.5 p90 -125.37 110.73 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.62 114.35 25.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.603 1.189 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.57 ' CD1' HD13 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -86.34 108.83 18.61 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -114.02 97.19 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -100.87 -178.67 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.511 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.84 7.81 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.913 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.426 ' CD2' HG11 ' A' ' 65' ' ' VAL . 1.6 tp -91.51 2.53 56.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.601 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -137.73 7.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.358 1.036 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.503 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 8.5 mt-10 -152.22 -37.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.51 48.53 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.433 1.083 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.503 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 ptp -112.54 18.74 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 0.707 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 11.5 mmt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.955 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.88 -41.8 35.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -53.63 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -61.35 -40.42 86.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.99 87.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.6 mm-40 -70.34 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -38.09 -44.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.497 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.59 -40.8 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.524 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tt0 -61.79 -32.96 73.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -41.56 55.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.228 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.9 -39.18 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 2.7 pt -76.8 -39.12 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -60.44 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.03 -60.06 2.46 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 18.7 mt -59.2 -20.24 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.626 1.204 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.604 ' CD1' ' CG1' ' A' ' 54' ' ' VAL . 9.5 tt -85.21 -16.57 39.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -112.66 -13.91 13.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.42 -65.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -61.09 -18.29 57.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.547 ' CD1' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -81.85 -178.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.85 70.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.211 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.09 -50.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.01 1.63 7.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.8 ttt180 -93.66 -52.45 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 10.8 mt -66.62 -22.51 66.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.07 31.59 19.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.416 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.9 mpp? -144.85 178.36 8.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.0 106.17 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.474 HG21 ' CD2' ' A' ' 56' ' ' PHE . 64.6 p -69.25 155.0 41.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -129.7 159.58 36.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.72 79.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.76 33.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.644 1.215 . . . . 0.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 53' ' ' TYR . . . 179.82 134.63 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 2.5 p -149.51 123.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 0.719 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.15 127.47 32.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -132.0 106.52 8.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.642 1.214 . . . . 0.0 111.047 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.667 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -114.99 109.2 17.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.378 1.049 . . . . 0.0 110.005 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' CG ' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.99 4.75 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -49.22 -32.45 10.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.73 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -142.01 -61.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 161.54 74.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.73 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -163.83 132.72 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.947 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' HA ' ' A' ' 95' ' ' LEU . . . -135.59 165.3 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 106.69 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.27 132.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.518 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 43.0 t80 -95.2 151.11 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.604 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -154.07 123.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.98 132.45 56.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 1.4 m-85 -126.7 170.54 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.0 10.94 26.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -49.59 -26.46 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' LYS . 14.2 t70 -39.86 -41.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' ASP . 18.0 mtpt -39.52 -42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -128.39 116.49 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -19.15 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.36 -43.57 60.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.4 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -75.37 -43.63 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.215 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' HG11 ' A' ' 65' ' ' VAL . 20.8 ttmt -74.9 -50.4 17.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.5 -61.11 7.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.407 1.067 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 3.5 tt -54.21 -33.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -67.25 -34.01 76.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.58 58.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.209 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.574 HD23 ' CZ ' ' A' ' 56' ' ' PHE . 64.5 tp -75.91 -25.29 55.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -76.8 -44.58 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.92 -30.3 63.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -85.28 9.88 14.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 79' ' ' ILE . 23.0 m -53.61 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.4 -22.61 0.64 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.78 -47.13 64.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 0.817 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.572 HD13 ' CE1' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -68.74 -34.5 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 79' ' ' ILE . 43.6 ttp85 -65.93 -42.38 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -76.92 -33.24 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -62.26 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 19' ' ' ILE . 2.5 mt -71.17 -56.45 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -48.06 -44.46 25.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -76.48 -40.58 49.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -61.45 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.1 mtm -121.18 21.49 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 87' ' ' MET . 30.6 mtp180 22.71 85.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -121.35 -179.52 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.205 . . . . 0.0 109.262 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.442 ' N ' ' HG ' ' A' ' 89' ' ' LEU . 5.4 ptt-85 -129.63 -40.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.5 pt -40.1 -31.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 49.5 t 23.61 60.82 0.37 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.98 155.9 43.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.598 1.841 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 4.6 tt0 -67.73 64.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PRO . 1.7 pp -68.81 91.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -66.43 171.86 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -127.23 109.88 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.445 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -92.18 112.27 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.4 95.17 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -103.89 88.51 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.518 ' ND2' ' N ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER -89.71 -170.05 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.3 15.28 7.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 tp -95.87 4.89 52.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.357 1.035 . . . . 0.0 109.226 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.596 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.7 t -136.02 6.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.6 1.187 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.459 ' CG ' ' C ' ' A' ' 104' ' ' VAL . 2.0 mt-10 -155.01 -36.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.16 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -137.91 27.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 107' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.78 -31.92 22.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -57.58 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.1 t -69.14 -41.77 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -50.56 -39.15 48.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.529 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.6 mm100 -73.69 -64.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -42.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.92 -38.31 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.5 tm0? -62.6 -35.43 79.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.0 ptmt -76.2 -39.04 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -68.13 -44.42 76.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.7 pt -72.41 -45.09 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -55.2 -38.32 68.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -67.28 -60.3 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.603 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 92.6 mt -58.4 -21.56 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 18.9 tp -88.09 -16.46 33.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -110.86 -7.67 14.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.644 1.215 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.7 -54.67 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.61 -3.25 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.562 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -99.51 -179.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -99.66 70.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -86.12 -49.67 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.3 17.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -85.77 -42.41 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 34' ' ' MET . 62.8 mt -70.77 -26.15 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 89.39 25.33 28.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 33' ' ' GLY . 3.8 mpp? -142.65 161.58 37.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.99 86.58 2.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.619 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 23.4 p -46.33 167.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 38' ' ' VAL . 1.4 m -141.89 162.79 34.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 37' ' ' THR . 13.3 p -128.04 80.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.33 29.81 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.98 133.8 2.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.526 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 7.6 p -149.66 134.14 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -135.29 126.55 28.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 3.0 mmm -132.22 106.6 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.752 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -113.73 106.53 14.6 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.448 1.093 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.9 -4.39 26.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -57.82 -17.19 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.55 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -143.42 -72.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.91 62.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.752 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -157.64 136.8 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' C ' ' HA ' ' A' ' 95' ' ' LEU . . . -137.75 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -151.3 103.17 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.7 p -99.24 134.67 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -100.83 140.98 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.558 HG22 ' CE1' ' A' ' 97' ' ' PHE . 4.6 m -142.91 120.17 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.85 135.01 50.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.619 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 5.1 m-85 -126.77 166.26 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tp -103.6 17.92 23.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -58.74 -26.96 64.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . 1.1 t70 -39.25 -40.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.6 mtmt -39.87 -42.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -128.0 117.38 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.67 -19.48 65.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -42.68 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.55 44.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.38 1.05 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -76.07 -43.86 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -73.72 -49.86 23.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.64 53.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.33 -61.01 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.403 1.064 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 9.1 tt -54.33 -35.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -63.71 -34.44 77.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.93 -38.66 61.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -73.4 -19.88 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.41 -45.71 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.627 1.204 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.76 -29.74 66.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 79' ' ' ILE . . . -89.5 3.78 51.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -55.17 -69.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.32 -20.85 5.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -41.81 58.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.787 ' CD1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -70.5 -39.24 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.448 ' N ' HG12 ' A' ' 79' ' ' ILE . 23.6 ttp85 -65.29 -46.2 81.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -72.58 -35.27 67.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 4.4 tt -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.53 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.24 -43.81 7.49 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -75.97 -39.78 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 109.371 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.87 70.58 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.588 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -113.6 14.33 18.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.4 mtm-85 22.45 73.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.647 1.217 . . . . 0.0 110.27 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -154.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 9.3 ptm180 -143.25 -43.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.604 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -37.23 -38.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.0 t 22.91 59.97 0.33 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.89 153.38 42.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.447 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -66.68 69.69 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.438 ' HA ' ' C ' ' A' ' 50' ' ' ALA . 1.1 pp -70.67 94.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 t -66.65 160.65 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.787 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -110.99 102.65 11.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -93.41 111.14 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -97.35 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -112.68 86.72 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.232 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -170.0 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.17 9.8 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.016 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -93.31 1.55 56.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.0 OUTLIER -133.66 4.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.507 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 10.2 mt-10 -148.77 -40.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.28 54.22 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.507 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -121.54 32.52 5.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.777 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' NE ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 O-C-N 124.402 1.064 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.8 -37.47 48.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.364 1.04 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -62.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' MET . 2.2 t -55.76 -43.4 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.07 -34.6 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.0 mm-40 -76.71 -71.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -31.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.461 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 53.4 mtp -80.77 -44.48 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 2.4 tm0? -63.22 -37.53 87.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.186 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.9 ptmt -78.12 -37.81 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.2 tp10 -66.73 -53.55 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 15' ' ' MET . 2.3 pt -64.28 -42.26 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.648 1.217 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.92 -37.98 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -65.23 -58.58 5.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.7 mt -59.29 -22.97 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 27' ' ' ILE . 13.5 tp -86.53 -16.58 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -111.14 -7.21 14.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -113.85 -56.08 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.486 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.32 -17.57 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 HD12 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -92.39 177.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.06 70.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.33 -50.88 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.06 -31.92 5.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -21.66 64.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.56 -26.34 45.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.71 11.62 49.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 58' ' ' ASN . 3.6 mtt -128.56 -165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.16 78.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.653 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 41.6 p -43.05 155.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.2 m -137.63 161.3 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.369 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 5.8 p -121.81 73.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 t -43.38 -48.96 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -155.26 171.73 33.45 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 61.4 t -153.38 129.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.342 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.53 110.78 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.323 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.5 104.58 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.87 106.84 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.075 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.91 0.72 47.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.04 -23.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -144.56 -61.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.626 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 164.58 80.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 37.3 m-85 -158.87 135.71 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -146.35 95.9 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.5 33.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 5.3 p -114.42 123.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -80.28 137.06 36.55 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.392 1.057 . . . . 0.0 110.927 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.594 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -141.85 117.48 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -105.33 128.07 53.29 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.653 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 6.0 m-85 -117.81 161.25 20.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' SD ' ' A' ' 34' ' ' MET . 11.1 tp -95.91 19.96 10.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.515 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -59.68 -33.24 71.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -40.53 -34.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.3 -49.06 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.72 126.26 41.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.58 -24.67 65.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -42.61 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.03 -19.22 48.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.61 -42.94 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.397 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -75.97 -51.0 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.49 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.09 7.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 99' ' ' TYR . 1.6 tt -53.62 -32.09 20.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.41 -33.41 75.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.14 -43.89 23.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -67.34 -21.8 65.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -80.89 -52.92 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.1 pp20? -57.56 -31.71 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -88.59 14.08 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 5.6 t -56.78 -74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.7 -20.03 3.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.408 1.068 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.58 -43.92 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 76' ' ' SER . 18.4 pt -71.74 -40.7 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.6 -47.8 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.8 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.6 tt -64.87 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 3.6 mt -69.13 -57.76 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -46.34 -49.86 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -70.92 -40.85 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.27 -32.66 70.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -112.07 11.91 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 6.3 mtt180 23.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 91' ' ' ILE . 6.8 tp -118.41 -151.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' VAL . 12.8 ptt-85 -149.38 -42.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.562 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.7 OUTLIER -39.76 -28.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.562 ' C ' ' O ' ' A' ' 91' ' ' ILE . 67.8 t 26.9 57.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.0 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.88 61.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -64.93 87.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -107.78 173.79 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 72' ' ' LEU . 3.0 p90 -138.17 124.09 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.33 120.2 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -82.55 101.19 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.504 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -108.79 90.59 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -172.39 2.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.51 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -91.43 14.05 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.07 -2.21 32.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.8 t -129.8 -2.8 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.524 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.0 mt-10 -139.68 -38.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.48 19.04 64.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.524 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.1 ptp -155.57 29.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' NE ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.23 -42.44 37.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -55.51 -58.79 6.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -53.38 -40.69 41.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -61.55 -39.33 90.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.531 HE21 ' N ' ' A' ' 13' ' ' GLN . 2.1 mm-40 -68.45 -64.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.24 -43.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.508 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.74 -37.1 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.8 tm0? -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.7 ptmt -76.12 -38.74 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 tp10 -68.73 -36.28 78.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 15' ' ' MET . 4.8 pt -80.27 -40.02 19.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.217 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -62.37 -33.43 74.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.57 -57.44 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 89.2 mt -58.47 -24.49 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.518 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -87.44 -17.75 31.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 12.7 mt-30 -107.84 -5.47 17.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.5 tmt_? -115.42 -57.34 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.13 -19.7 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.525 HG21 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -86.11 178.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -97.08 74.19 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.86 -52.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.95 -20.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -72.69 -29.91 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 6.6 mp -109.47 25.47 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 36.94 32.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 58' ' ' ASN . 15.7 mtm -128.84 146.95 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -107.95 74.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.521 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 50.3 p -36.0 148.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.5 m -128.62 158.36 38.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.42 87.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 17.65 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.082 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.72 136.19 3.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.531 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 5.6 p -145.83 123.7 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' SD ' ' A' ' 43' ' ' MET . 2.0 mt-10 -138.85 123.26 18.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 1.5 mmm -122.44 105.28 10.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' TYR . 19.2 m -103.83 106.02 16.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -99.88 -1.55 37.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.594 1.184 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -23.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.198 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.2 mt -144.61 -61.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 162.34 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 47.7 m-85 -163.52 136.66 5.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.679 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -136.58 95.24 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 112.1 20.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 19' ' ' ILE . 4.3 p -116.52 134.67 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.24 149.75 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 9.8 m -153.4 120.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.23 133.3 55.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 2.9 m-85 -121.58 167.92 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 34' ' ' MET . 7.1 tp -103.08 17.52 23.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.522 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.21 -32.17 70.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 mtpp -38.63 -44.0 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.03 119.88 26.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -66.31 -22.53 66.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -43.98 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.09 -19.75 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.522 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.12 -42.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -73.04 -51.14 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.98 -52.8 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.53 -62.04 6.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -52.17 -35.52 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 69' ' ' ILE . 3.5 mtpp -61.94 -35.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.3 43.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.594 HD13 ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -68.18 -19.63 64.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -84.29 -51.72 6.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 110.391 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.77 -33.59 68.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.42 13.4 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 44.0 p -56.57 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.04 -20.32 3.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.57 -43.49 55.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.512 ' CG2' ' OE1' ' A' ' 26' ' ' GLU . 16.4 pt -71.46 -38.48 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -67.49 -48.14 67.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m -70.18 -37.97 75.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 109.939 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.51 HD21 ' CG ' ' A' ' 26' ' ' GLU . 1.1 tt -62.74 -34.19 76.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 6.6 mt -68.31 -59.0 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.26 -50.83 9.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -40.89 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.92 -31.58 69.96 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.48 1.113 . . . . 0.0 109.194 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.563 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -111.45 12.68 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 87' ' ' MET . 53.9 mtp180 22.62 75.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 tp -112.43 -150.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 92' ' ' VAL . 3.0 ptt180 -151.31 -44.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.58 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.2 pt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' A' ' 91' ' ' ILE . 22.0 t 24.95 59.93 0.42 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.0 159.1 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.23 63.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 50' ' ' ALA . 1.1 pp -66.4 90.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -88.27 159.06 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 72' ' ' LEU . 16.1 p90 -124.92 114.0 18.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.53 114.64 26.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.84 101.91 13.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.28 87.78 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -88.98 -172.14 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -89.63 13.96 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 110.014 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.439 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 2.0 tp -96.21 3.27 53.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.573 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 6.7 t -136.57 10.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' HE2' ' A' ' 107' ' ' MET . 1.8 mp0 -158.12 -38.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.04 -16.85 40.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.502 ' HE2' ' CG ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -113.13 24.68 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -38.74 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -57.39 12.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.06 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.26 76.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.2 mm-40 -72.04 -65.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.1 -42.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.506 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.67 -39.1 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.529 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.7 tm0? -63.75 -33.7 76.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.24 52.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.21 -45.54 73.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 110.237 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.9 pt -69.57 -47.27 72.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.46 -34.9 67.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.97 -59.28 3.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.9 mt -59.06 -24.16 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.538 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.8 tp -86.5 -15.99 38.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -110.59 -9.48 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.1 mpt_? -111.29 -59.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' OE1' ' CG2' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.5 -11.67 58.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -89.91 179.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.39 72.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.572 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.11 -55.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.01 -8.82 20.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -84.2 -44.04 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 8.9 mp -73.36 -23.62 60.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 14.85 46.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -133.04 147.71 52.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 105.01 16.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.538 HG23 ' CE2' ' A' ' 56' ' ' PHE . 75.6 p -63.85 151.26 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.412 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.68 86.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.214 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 28.68 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.5 137.39 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.529 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 11.6 p -150.46 133.28 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.443 0.731 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.05 121.08 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.481 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -122.2 104.88 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.8 m -109.88 106.07 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -101.84 -6.17 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.45 -23.39 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.28 -71.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 171.14 73.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 27.1 m-85 -153.05 140.22 19.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . . . -152.56 113.94 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 119.24 38.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 19' ' ' ILE . 1.3 p -118.82 129.97 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.87 151.05 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -150.94 117.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.24 126.2 52.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.538 ' CE2' HG23 ' A' ' 36' ' ' THR . 3.8 m-85 -116.49 165.62 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.37 26.7 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.502 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -70.39 -31.08 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' LYS . 1.5 t70 -38.58 -43.3 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ASP . 1.8 mtmt -37.86 -42.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.93 116.9 20.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -66.95 -19.73 65.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -43.71 62.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -19.43 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -74.68 -43.67 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.445 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -74.72 -52.46 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -52.65 61.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.35 -61.65 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 8.4 tt -55.86 -29.78 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -68.4 -32.35 72.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 74' ' ' GLU . . . -82.42 -45.94 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HG ' ' CE2' ' A' ' 97' ' ' PHE . 23.9 tp -54.89 -36.06 64.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.218 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 19.1 pt20 -77.03 -47.87 19.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 1.3 pt-20 -54.33 -20.95 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.27 17.2 21.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 48.0 t -55.48 -71.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.2 -21.02 0.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.0 -44.41 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.4 pt -70.36 -40.54 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp-105 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.213 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -71.04 -32.82 69.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.411 1.069 . . . . 0.0 110.01 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.5 tt -66.63 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 12.3 mt -69.56 -56.64 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -47.55 -50.3 19.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -69.75 -41.78 74.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.61 -30.92 70.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 88' ' ' ARG . 3.8 ttm -110.71 11.96 22.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.9 mtm180 23.53 76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.74 -177.54 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -121.36 -40.61 2.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.525 1.14 . . . . 0.0 110.255 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.584 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.1 pt -38.36 -33.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' A' ' 91' ' ' ILE . 37.1 t 24.93 58.3 0.39 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.99 170.3 20.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -68.05 62.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -68.16 87.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.15 171.0 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 23.2 p90 -132.96 117.55 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.58 118.39 30.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -87.38 109.94 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 105' ' ' GLU . 1.1 t70 -115.81 86.5 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -93.32 -172.54 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.86 11.94 21.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.411 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.1 tp -97.33 -1.36 44.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.7 t -131.27 -1.12 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.535 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 2.8 mt-10 -141.08 -39.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.58 -9.43 64.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.535 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -123.41 26.43 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 105' ' ' GLU . 4.2 mpt_? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.936 -0.448 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -36.01 47.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.95 52.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.0 OUTLIER -65.62 -40.84 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CA ' ' HE2' ' A' ' 43' ' ' MET . . . -57.62 -40.24 78.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.6 mm-40 -71.18 -71.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.11 -32.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.535 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 35.6 mtp -79.82 -43.05 23.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.9 tm0? -63.35 -35.74 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.95 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.68 -40.44 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 15' ' ' MET . 5.3 pt -75.46 -49.4 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -54.35 -33.71 59.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.063 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -70.79 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 43.0 mt -58.52 -25.1 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.4 tp -88.29 -15.95 34.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 31.9 mt-30 -109.19 -6.2 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 21' ' ' LEU . 27.5 mtp85 -115.59 -54.58 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 -15.62 62.77 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -85.4 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.29 74.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.529 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -94.47 -53.4 0.24 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.401 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.529 ' HD3' ' HB3' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.93 -30.53 7.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -70.09 -60.19 2.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -59.1 -27.55 65.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.88 41.1 8.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 11.8 mtt -146.62 -174.31 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.45 82.4 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.5 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 69.4 p -45.65 145.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.4 m -124.59 161.9 25.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' NE2' ' A' ' 16' ' ' GLN . 3.9 p -118.8 90.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.17 29.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.7 135.86 3.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.512 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -144.62 121.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LYS . 24.6 mt-10 -133.96 95.2 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.47 ' HE2' ' CA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -104.01 102.61 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 111.102 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.457 ' O ' ' O ' ' A' ' 49' ' ' TYR . 3.1 m -113.73 105.49 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -0.36 35.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.81 -22.26 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.12 -62.76 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 163.22 77.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.358 1.036 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 35.0 m-85 -157.59 137.7 12.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.572 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -145.52 95.22 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -90.26 104.01 16.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -102.79 152.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 14.6 t80 -107.6 153.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.72 121.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.12 121.8 40.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.0 m-85 -112.75 153.13 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.419 HD12 ' NH2' ' A' ' 108' ' ' ARG . 18.1 tp -90.04 16.05 9.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.516 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -54.16 -28.36 39.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -39.49 -36.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -39.97 -47.6 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.24 122.68 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.3 tm-20 -67.3 -23.14 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -42.75 69.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -18.81 48.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.37 -44.2 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 65' ' ' VAL . 6.0 tttt -74.85 -51.6 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.48 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.15 -60.91 7.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.407 1.067 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 70' ' ' LYS . 7.8 tt -55.29 -27.98 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 69' ' ' ILE . 3.2 tptm -70.33 -33.42 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -74.11 -44.64 53.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 2.0 tp -72.21 -19.75 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -45.8 24.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -71.26 -27.36 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -90.03 14.75 11.5 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -55.85 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.82 -18.23 4.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -76.01 -42.62 47.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.995 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 76' ' ' SER . 14.5 pt -71.18 -39.36 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -66.23 -46.3 77.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -73.95 -33.35 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER -65.61 -33.77 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.65 -57.02 4.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.32 -46.38 21.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -74.23 -41.47 61.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.18 -30.3 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.572 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.4 ttm -112.42 12.34 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 87' ' ' MET . 8.4 mtt85 22.72 76.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.424 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.8 tp -114.5 -151.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.464 ' C ' ' N ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -149.92 -43.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.583 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -39.81 -29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 91' ' ' ILE . 63.1 t 25.51 59.42 0.45 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.529 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.96 167.01 28.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.541 1.811 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -67.84 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.572 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.79 86.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.01 168.26 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.741 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 11.2 p90 -131.04 113.4 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.741 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.02 99.78 12.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.76 87.09 2.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -171.02 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.83 12.77 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.046 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -93.41 1.89 56.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.526 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.2 t -133.96 1.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.513 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.9 mt-10 -145.92 -36.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 92.28 -34.05 4.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -136.43 26.79 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 0.734 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 108' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -78.4 -40.64 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -61.12 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -42.77 43.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.408 1.067 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.96 80.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 21.2 mm-40 -71.04 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -41.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.54 -39.74 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.52 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.8 tm0? -64.31 -34.05 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.65 -40.26 56.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 8.0 tp10 -68.25 -41.11 81.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' MET . 4.1 pt -74.29 -44.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.32 -35.02 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.47 -59.99 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.78 -20.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -86.66 -18.05 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.34 -7.43 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.65 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.484 ' CG ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.58 -20.69 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -80.93 175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.0 72.14 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.566 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -88.04 -48.35 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -75.06 -14.56 20.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.388 1.731 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -83.68 -49.12 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 2.2 mp -70.7 -23.52 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 84.31 34.1 18.13 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -137.87 167.06 22.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 0.776 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.407 ' HA ' ' OD1' ' A' ' 29' ' ' ASP . 1.4 ttp -115.7 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.521 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 63.3 p -38.82 158.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.7 m -138.67 165.22 27.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 37' ' ' THR . 71.1 t -124.61 83.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.18 22.56 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.1 136.47 3.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.52 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 7.4 p -151.71 136.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -148.12 134.76 19.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.214 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.471 ' HE2' ' CG2' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -134.19 108.43 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -105.2 107.24 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CG ' HD13 ' A' ' 91' ' ' ILE . 1.8 mpp_? -101.36 -4.42 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -50.25 -22.77 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.559 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -145.88 -66.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 163.58 60.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.1 m-85 -146.82 130.19 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 95' ' ' LEU . . . -137.33 156.34 48.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 112.53 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 19' ' ' ILE . 2.0 p -109.91 123.19 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 6.5 m -152.16 119.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.634 1.209 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.72 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 54' ' ' VAL . 5.4 m-85 -119.38 169.41 10.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tp -109.3 27.59 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.194 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.502 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -71.79 -29.2 64.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' LYS . 2.1 t70 -39.32 -43.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.6 mttt -37.73 -43.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.46 117.42 22.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.69 -20.37 65.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.226 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -43.57 64.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.06 -19.89 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.182 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.14 -39.93 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -75.9 -52.35 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.9 71.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.95 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 1.1 tt -53.73 -34.2 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.47 80.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.09 -40.07 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -72.66 -19.33 61.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -47.99 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.3 pt-20 -68.88 -30.63 69.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.28 18.54 6.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.1 t -63.1 -74.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.91 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.5 -19.06 2.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.33 -44.51 44.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.724 . . . . 0.0 111.07 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.1 pt -68.69 -37.82 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -66.87 -45.76 77.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -70.78 -34.85 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 4.3 tt -64.48 -37.63 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.72 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -41.42 -52.63 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.628 1.205 . . . . 0.0 111.047 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -67.26 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 0.807 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.09 -33.59 71.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.8 ptp -110.51 12.32 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 3.3 mtt180 22.9 74.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 91' ' ' ILE . 2.5 tp -112.08 -152.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 92' ' ' VAL . 28.4 ptt180 -146.26 -45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.3 pt -40.65 -29.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.588 ' C ' ' O ' ' A' ' 91' ' ' ILE . 48.7 t 23.4 61.08 0.36 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.0 Cg_endo -75.04 159.36 41.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -68.2 59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -69.49 87.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' VAL . 2.7 t -79.97 165.94 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.563 ' CE2' HD22 ' A' ' 72' ' ' LEU . 14.2 p90 -124.94 108.91 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.05 114.15 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.92 100.81 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 0.0 111.048 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 91.75 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.442 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -93.24 -174.54 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.434 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -85.84 12.66 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.923 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.436 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 2.8 tp -95.3 0.49 53.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 27.7 t -140.05 7.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.5 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 4.3 mm-40 -148.45 -37.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.68 -39.21 3.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.5 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 ptp -87.31 15.32 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 10.0 mmt-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.16 -38.53 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -42.5 93.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -34.23 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.05 92.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' GLN . 8.4 mm-40 -69.34 -65.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.255 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -42.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.508 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 90.8 mtp -74.86 -37.08 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.9 tm0? -64.54 -36.06 83.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 pttt -77.5 -37.8 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.3 tp10 -68.12 -43.82 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.4 pt -74.01 -43.15 52.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.8 -33.71 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -71.57 -56.67 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 76.2 mt -58.89 -23.62 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 12.6 tp -86.61 -15.24 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -110.99 -9.04 14.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 11.5 mmt180 -113.63 -59.06 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.59 -19.56 65.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -81.7 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.95 71.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.86 -51.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -74.96 -6.21 17.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.45 -15.25 19.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.648 1.218 . . . . 0.0 110.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.1 mt -88.24 -24.74 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 90.66 23.16 31.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.0 mpp? -153.07 175.02 13.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.49 125.97 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.663 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 41.3 p -88.27 168.21 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.5 m -143.63 166.28 25.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 8.9 p -126.56 86.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.39 28.79 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.045 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.35 138.94 3.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' CB ' ' HG3' ' A' ' 16' ' ' GLN . 3.2 t -151.69 148.47 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.595 0.821 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.8 mt-10 -155.29 131.95 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -135.22 107.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.767 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -106.24 107.23 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -0.46 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.48 -15.75 40.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.36 -70.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 160.5 56.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.767 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -152.09 130.41 12.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' CB ' ' HG ' ' A' ' 95' ' ' LEU . . . -139.25 151.31 46.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -133.95 122.37 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.453 ' CG2' HD11 ' A' ' 19' ' ' ILE . 1.9 p -118.02 127.64 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.05 144.21 28.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.611 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -148.41 118.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.57 129.7 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 4.8 m-85 -118.87 167.09 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.05 16.0 25.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.28 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -38.12 -43.57 0.76 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.8 mtpt -39.31 -41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.76 118.62 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -19.8 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -43.75 55.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.47 49.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.63 -42.68 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 65' ' ' VAL . 2.5 tttt -72.07 -58.2 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.54 44.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.61 5.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 99' ' ' TYR . 4.4 tt -57.73 -28.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 69' ' ' ILE . 4.1 mtpt -68.58 -29.88 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.58 -41.53 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.52 ' CD2' HG12 ' A' ' 27' ' ' ILE . 69.0 mt -65.41 -29.88 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -79.03 -48.02 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -63.66 -20.57 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.83 20.1 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 71.4 m -54.51 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.06 -23.15 1.03 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -72.47 -44.92 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 111.046 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 97' ' ' PHE . 16.5 pt -71.91 -40.87 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 93' ' ' PRO . 1.7 ttp85 -66.69 -48.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.5 t -69.29 -34.14 74.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 6.5 tt -65.0 -34.81 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 5.1 mt -69.23 -58.15 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.94 -51.01 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -69.07 -41.23 77.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.47 -31.13 70.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.0 ttm -110.9 11.43 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' C ' ' O ' ' A' ' 87' ' ' MET . 29.7 mtt85 23.61 76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.295 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 tp -116.41 -153.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -145.76 -45.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.578 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.2 pt -42.3 -31.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ILE . 26.1 t 24.59 60.24 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.182 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.6 Cg_endo -74.94 160.95 39.71 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 50' ' ' ALA . 2.4 tt0 -66.46 59.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -68.41 90.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.2 t -90.46 163.04 14.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 79' ' ' ILE . 21.1 p90 -122.38 112.5 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.92 115.2 27.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -83.81 104.69 14.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -108.63 87.53 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 3.9 m-20 -94.58 -175.06 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.453 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -83.24 10.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.423 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.5 tp -93.1 2.58 56.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.62 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -138.09 9.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 6.2 mt-10 -155.14 -37.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.86 -35.21 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.516 ' HE3' ' CG ' ' A' ' 105' ' ' GLU . 2.1 ptp -90.03 10.49 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.453 ' C ' ' OG ' ' A' ' 102' ' ' SER . 12.6 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 1' ' ' MET . . . 162.61 45.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -134.9 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.24 84.19 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -135.49 -179.19 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.72 -1.27 63.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -78.61 177.65 2.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.2 Cg_endo -75.05 3.15 5.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -84.67 -38.32 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -56.73 -63.25 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.09 -41.01 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' CB ' ' HE1' ' A' ' 43' ' ' MET . . . -57.7 -36.13 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' A' ' 13' ' ' GLN . 1.2 mm-40 -69.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.83 -38.39 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.5 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.08 -39.2 60.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.493 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.4 tm0? -64.91 -35.65 81.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.91 -38.14 58.04 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.6 tp10 -68.45 -43.36 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 3.8 pt -74.26 -36.65 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -63.06 -34.82 78.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.621 1.201 . . . . 0.0 109.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -71.96 -59.1 2.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 14.7 mt -60.88 -19.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.604 ' CD2' ' CG1' ' A' ' 54' ' ' VAL . 7.3 tt -85.07 -19.27 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 3.8 mt-30 -111.95 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.0 mtm180 -109.04 -62.08 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.464 ' CG ' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.71 -21.16 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.512 HD12 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -78.4 179.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -101.85 73.12 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.87 -45.48 0.68 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -74.98 -21.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -81.51 -15.85 53.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 1.7 mp -110.59 14.55 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.94 37.41 0.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 76.6 mtm -150.51 155.35 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 128.83 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 HG21 ' CE2' ' A' ' 56' ' ' PHE . 9.4 p -91.61 165.46 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.5 m -135.23 164.77 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 37' ' ' THR . 69.0 t -127.02 80.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.29 33.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.51 136.67 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -142.52 127.27 18.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.474 ' HE1' ' CB ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.75 106.95 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.747 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.24 107.91 17.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.465 ' HG2' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.61 -5.58 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.88 -18.79 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.89 -71.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.554 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.67 61.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.747 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -155.88 133.96 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.582 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -139.75 164.95 28.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.76 113.66 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.68 145.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -112.64 141.4 46.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.604 ' CG1' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.77 122.92 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -110.41 131.08 55.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.098 . . . . 0.0 110.44 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.1 m-85 -123.23 168.13 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.77 17.41 24.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.518 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -57.58 -27.66 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' CG ' ' HB2' ' A' ' 102' ' ' SER . 5.8 t70 -41.37 -35.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -41.33 -43.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.59 120.42 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -66.94 -18.44 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -39.88 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.422 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.93 -24.02 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.518 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -76.45 -42.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 53.3 tttt -71.7 -56.2 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.76 -53.7 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.44 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -48.05 -61.84 4.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' HB ' ' O ' ' A' ' 65' ' ' VAL . 5.7 tt -52.36 -36.98 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.381 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.39 -35.75 76.48 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.16 68.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.512 ' CD1' HD12 ' A' ' 27' ' ' ILE . 16.4 tp -73.17 -24.12 60.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.56 -44.8 41.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -68.94 -33.48 73.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.63 10.47 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 35.4 t -55.12 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.37 -19.22 4.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.17 -43.06 54.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 97' ' ' PHE . 15.6 pt -71.71 -38.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -67.2 -46.68 73.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 t -71.72 -36.89 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -64.5 -33.04 74.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' O ' ' SD ' ' A' ' 87' ' ' MET . 13.5 mt -70.76 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.58 8.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.36 -40.05 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.54 -32.34 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -112.42 14.5 20.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 83.3 mtt180 22.42 78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' A' ' 91' ' ' ILE . 3.4 tp -119.25 -150.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.6 ptt-85 -148.12 -44.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.598 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -37.37 -36.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.1 t 23.75 60.12 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.507 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.99 157.2 42.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.26 66.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.582 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -72.8 90.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.7 t -68.41 161.65 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.37 103.55 10.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.057 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -92.35 121.36 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.447 ' CD2' HD13 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.91 103.33 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 1.5 t0 -105.31 87.88 2.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.87 -170.69 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.4 15.7 11.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -101.1 2.44 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.557 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.1 t -132.21 3.15 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 21.0 mt-10 -150.13 -38.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.37 -5.16 78.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -123.7 25.71 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 111.011 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' OE2' ' A' ' 105' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.478 0.18 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 -130.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -147.09 86.46 1.64 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.62 86.73 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.2 t80 -144.34 136.52 26.37 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -39.7 -25.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.12 177.54 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.2 Cg_endo -74.95 5.22 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.597 1.841 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -78.51 -37.13 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.3 tmm_? -60.95 -59.08 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' HB2' ' A' ' 15' ' ' MET . 45.2 t -54.76 -44.53 71.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.39 88.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.513 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.79 -70.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.19 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 15' ' ' MET . 7.8 pt-20 -38.73 -37.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.514 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.85 -42.86 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 2.3 tm0? -64.2 -35.3 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.54 -39.64 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.77 -41.3 83.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.212 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 3.8 pt -76.69 -38.54 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -59.04 -35.78 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -74.99 -59.41 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 68.4 mt -57.74 -21.01 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.616 ' CD1' ' CG1' ' A' ' 54' ' ' VAL . 10.3 tt -87.66 -16.59 33.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 7.5 mt-30 -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -114.52 -61.46 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HG2' ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.85 -19.03 65.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.544 HG22 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -83.79 175.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.68 72.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.229 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.63 -46.24 0.61 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.9 -10.72 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.491 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -87.27 -25.8 23.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' CD2' ' HG3' ' A' ' 28' ' ' LYS . 1.7 mm? -84.98 -22.7 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.91 21.18 58.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 34.3 mtm -146.07 151.79 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 ttp -88.66 101.17 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.6 p -60.72 169.8 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -145.42 162.99 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 69.0 t -127.88 85.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 13.57 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.41 124.44 1.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG22 ' CG ' ' A' ' 16' ' ' GLN . 38.3 t -148.29 128.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 0.805 . . . . 0.0 109.366 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' SD ' ' A' ' 43' ' ' MET . 5.5 mt-10 -140.42 129.05 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 2.0 mmm -127.75 107.18 9.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -111.8 106.2 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.077 . . . . 0.0 110.05 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -101.52 -3.74 27.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -48.27 -23.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -148.26 -63.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.639 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 163.03 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 18.8 m-85 -152.38 140.05 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.561 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -150.24 147.88 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 107.76 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 95' ' ' LEU . 2.9 t -104.53 114.92 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.216 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -91.07 153.32 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 111.045 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.616 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 2.7 m -153.34 122.8 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.91 133.61 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.416 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 5.0 m-85 -128.83 158.07 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' C ' ' SD ' ' A' ' 34' ' ' MET . 8.5 tp -90.62 11.45 22.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -52.24 -27.7 15.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 102' ' ' SER . 0.6 OUTLIER -40.18 -41.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.63 -42.55 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.98 117.34 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.41 -19.43 65.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -43.63 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.86 -19.44 44.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -74.79 -44.16 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' N ' HG11 ' A' ' 65' ' ' VAL . 3.4 tmtm? -74.26 -53.47 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.56 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.97 -61.89 6.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.567 HD13 ' CD1' ' A' ' 99' ' ' TYR . 5.3 tt -55.45 -31.82 28.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 7.0 tttm -66.44 -33.22 75.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.04 -42.05 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 56' ' ' PHE . 0.5 OUTLIER -68.02 -24.73 65.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -79.08 -49.86 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -59.99 -30.11 68.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -89.02 13.63 12.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.469 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.6 m -54.57 -72.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.58 -19.85 3.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.428 1.08 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.18 -43.49 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.393 0.702 . . . . 0.0 110.931 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.587 HD13 ' CD2' ' A' ' 97' ' ' PHE . 17.6 pt -70.51 -39.43 76.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -67.77 -46.28 72.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.197 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.1 t -72.27 -33.61 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 3.7 tt -66.14 -34.22 77.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' MET . 30.7 mt -71.41 -53.28 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.196 . . . . 0.0 109.306 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.55 -46.49 37.55 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -42.09 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.97 -30.52 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttm -113.67 13.14 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 87' ' ' MET . 12.4 mtm180 23.06 79.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.5 tp -120.47 -158.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.239 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 8.8 mtt180 -141.89 -42.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -36.98 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 95.8 t 24.14 59.71 0.38 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.511 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.0 Cg_endo -75.1 163.75 34.53 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.04 66.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.561 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -70.32 87.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 t -72.56 172.92 9.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CD2' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -130.53 111.56 12.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.57 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -104.71 119.93 40.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.567 ' CD1' HD13 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -97.24 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.514 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -108.93 92.29 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 8.8 p30 -98.04 -173.13 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 7.6 t -89.62 14.38 11.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 110.057 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.434 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -99.2 1.77 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -128.02 -3.51 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' O ' ' CE ' ' A' ' 107' ' ' MET . 5.1 mt-10 -142.63 -42.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.45 ' C ' ' OG ' ' A' ' 102' ' ' SER . . . 91.05 19.75 41.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -156.11 33.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.496 0.189 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 179.43 167.86 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 33.0 tttt -146.4 85.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 85.35 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -144.31 -176.88 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.19 0.17 63.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -79.86 177.85 2.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -85.97 -32.34 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -61.18 -50.42 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.78 -39.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.89 93.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.9 -65.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -41.58 -38.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 110.325 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.538 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 2.8 mtt -77.65 -36.07 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 2.6 tm0? -66.88 -34.67 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.6 pttt -77.14 -39.85 47.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -67.33 -43.65 81.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 4.8 pt -73.31 -40.8 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.9 -35.64 73.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.85 -62.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 59.1 mt -58.71 -19.82 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.6 ' CD1' ' CG1' ' A' ' 54' ' ' VAL . 8.7 tt -86.3 -17.09 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -112.21 -13.02 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -107.02 -64.13 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -63.6 -15.28 57.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -84.58 179.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.42 72.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.598 1.186 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.539 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.89 -54.5 0.3 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.84 18.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.06 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.6 -31.13 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' CD1' ' HG2' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.84 77.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.483 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 30.1 mtm -145.35 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.06 150.12 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.501 ' HB ' ' CD2' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -112.02 172.16 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.2 m -134.43 167.47 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 37' ' ' THR . 4.5 t -122.33 74.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.13 7.93 12.22 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.76 128.18 2.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.526 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 1.2 p -147.92 123.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.79 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -133.11 126.42 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.477 ' HE3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -130.4 105.54 7.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.783 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.19 105.36 14.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.1 -2.33 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.616 1.198 . . . . 0.0 110.284 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -15.24 26.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.66 -71.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.23 58.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.783 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.8 p90 -154.05 132.09 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HB2' ' HA ' ' A' ' 43' ' ' MET . . . -135.97 162.18 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.75 99.97 3.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.359 1.037 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.83 128.25 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -97.02 152.45 18.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.6 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 0.3 OUTLIER -153.19 127.29 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.29 129.37 56.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' HD22 ' A' ' 72' ' ' LEU . 3.4 m-85 -121.81 166.28 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -99.54 13.24 34.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.488 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.0 -21.04 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 3.7 t70 -47.67 -38.97 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.1 mtmt -40.02 -42.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.16 118.22 22.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.2 tt0 -67.17 -19.28 65.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -41.5 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.05 41.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.64 -42.76 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 4.7 ptmt -72.65 -55.11 7.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.332 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 66' ' ' LYS . . . -63.48 -53.33 53.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.21 5.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 70' ' ' LYS . 1.6 tt -52.81 -32.41 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -63.97 -35.23 80.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.71 -38.23 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 11.3 tp -71.75 -22.63 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -78.17 -46.74 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -67.16 -31.08 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -87.48 12.94 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.8 m -56.65 -74.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.52 -18.76 3.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.93 -42.29 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.583 HD13 ' CZ ' ' A' ' 97' ' ' PHE . 16.6 pt -72.54 -38.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -67.58 -45.68 74.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 110.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 t -73.67 -36.92 65.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' PHE . 7.7 tt -62.69 -37.71 87.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.419 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -69.15 -62.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.96 -41.08 3.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -79.52 -38.09 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 83' ' ' LEU . . . -62.03 -29.84 70.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 8.8 mtt -116.61 16.07 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.1 mtt85 22.34 77.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.42 HD21 ' CG1' ' A' ' 91' ' ' ILE . 6.7 tp -116.6 -148.68 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -153.05 -43.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.6 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -37.48 -34.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 91' ' ' ILE . 40.9 t 23.42 60.44 0.36 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.92 155.95 43.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.17 64.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -69.96 90.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -68.02 162.24 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.4 105.98 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -95.87 120.44 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 111.047 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.428 ' CD2' ' CD1' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.44 91.11 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.933 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.417 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 4.8 t0 -94.06 86.77 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -91.68 -172.35 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -89.14 12.27 16.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.43 ' CD2' HG11 ' A' ' 65' ' ' VAL . 2.7 tp -94.37 4.0 54.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 41.9 t -134.49 10.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.494 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 5.6 mt-10 -160.55 -39.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.01 -32.4 4.64 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.494 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -75.64 0.04 18.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' C ' ' OG ' ' A' ' 102' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 O-C-N 124.472 1.107 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.565 0.221 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.7 -22.8 12.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -119.97 98.29 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -109.92 85.45 2.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 5.5 t80 -139.71 -177.02 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.92 5.6 72.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -84.61 177.59 2.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.06 1.65 7.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.58 -34.44 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -61.06 -52.35 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -62.11 -38.86 81.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -59.74 -37.93 80.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 16.8 mm-40 -70.56 -66.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -38.65 -41.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.471 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.8 -40.52 63.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.6 tm0? -62.05 -34.47 76.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -40.27 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.12 -43.12 83.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.526 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 4.0 pt -74.52 -39.43 47.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -57.73 -36.91 72.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -72.14 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 21.2 mt -58.65 -20.43 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.61 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 8.5 tt -88.14 -16.1 34.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.07 -5.33 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.223 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -116.28 -39.91 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -94.68 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.61 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.49 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -81.57 72.69 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.549 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -95.18 -54.75 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.62 1.2 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.07 -23.57 13.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' CD1' ' A' ' 32' ' ' LEU . 14.4 ttt180 -77.59 -42.0 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' CD1' ' HD3' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -87.41 10.74 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.82 55.53 1.09 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.432 ' HE3' ' ND2' ' A' ' 58' ' ' ASN . 14.4 mtm -150.82 177.47 10.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 0.715 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.15 83.93 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.582 1.176 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.515 HG23 ' CE2' ' A' ' 56' ' ' PHE . 45.1 p -53.02 156.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -133.4 162.43 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.26 79.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.67 23.73 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.01 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.28 133.59 2.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.606 1.191 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.514 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -150.83 132.83 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -139.66 126.92 21.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -131.95 106.66 8.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.749 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -111.37 107.45 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' HG2' ' CG2' ' A' ' 91' ' ' ILE . 0.7 OUTLIER -99.83 -6.09 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.41 -19.7 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.555 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.06 -70.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.8 63.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.231 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.749 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 52.2 p90 -156.7 130.89 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.7 163.67 30.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.31 104.0 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.35 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.3 p -102.41 124.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -89.3 151.88 21.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.373 1.046 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.542 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 1.3 m -153.73 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.62 1.2 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.71 136.47 52.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' N ' ' CD1' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -130.67 159.45 37.19 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.83 16.78 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.508 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.428 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 1.1 t70 -40.24 -41.37 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 2.6 mtmt -39.9 -43.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.64 118.82 24.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -67.32 -21.15 65.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -44.13 66.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.374 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.19 -19.35 47.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.18 -41.75 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.6 1.187 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 10.6 tttm -75.84 -50.18 15.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.76 61.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.34 -60.67 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 3.3 tt -55.85 -37.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.335 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 5.7 ttpp -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD12 ' CE2' ' A' ' 56' ' ' PHE . 21.3 mt -72.78 -25.91 61.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -51.92 9.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -63.19 -31.93 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.242 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.0 15.74 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.2 t -55.25 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.59 -19.23 4.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.54 -43.29 49.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 0.777 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.594 HD13 ' CE1' ' A' ' 97' ' ' PHE . 16.0 pt -71.32 -39.78 72.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.0 ttp85 -66.61 -46.92 74.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.7 t -71.18 -38.91 72.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 2.7 tt -60.47 -37.33 80.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.227 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.477 HD12 ' CG2' ' A' ' 22' ' ' ILE . 6.6 mp -68.45 -59.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.68 -41.3 5.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -78.67 -39.85 35.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 0.708 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 83' ' ' LEU . . . -62.94 -30.98 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.9 mtm -113.52 15.41 19.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.0 mtm180 22.2 83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 HD22 ' CG1' ' A' ' 91' ' ' ILE . 5.7 tp -126.58 -148.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -155.19 -41.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -36.78 -34.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.602 ' C ' ' O ' ' A' ' 91' ' ' ILE . 94.3 t 23.59 60.21 0.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -74.95 157.56 42.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.9 65.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -69.16 91.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.7 t -68.03 161.56 26.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.49 104.65 11.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.989 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.453 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -93.15 119.83 32.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.6 93.01 5.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 5.4 t0 -98.43 87.89 3.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -95.31 -173.05 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -87.23 16.2 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.945 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -98.8 2.2 46.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.59 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.3 t -135.11 6.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.464 ' O ' ' HE1' ' A' ' 107' ' ' MET . 0.5 OUTLIER -154.29 -40.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.18 -20.78 31.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.464 ' HE1' ' O ' ' A' ' 105' ' ' GLU . 2.0 mtm -103.05 17.02 25.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.445 ' HB2' ' HA ' ' A' ' 102' ' ' SER . 6.1 mmt180 . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.355 1.035 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 ttp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.453 0.168 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 172.57 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.47 88.9 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.67 86.81 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.235 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.487 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.5 t80 -143.74 -171.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.53 3.01 71.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.528 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -81.42 178.84 2.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.11 1.22 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -85.44 -26.12 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.4 tmm_? -70.98 -49.72 42.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.232 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HA ' ' CE ' ' A' ' 43' ' ' MET . . . -61.71 -41.41 97.58 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -69.12 -63.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -45.18 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.51 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -72.73 -38.91 67.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.5 tm0? -62.64 -33.29 74.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -76.28 -42.66 44.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.22 -41.99 89.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.4 pt -73.97 -44.21 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -53.57 -38.17 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.13 -56.8 5.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 69.6 mt -58.31 -22.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD22 ' CZ ' ' A' ' 97' ' ' PHE . 7.1 tp -87.67 -16.09 35.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 1.8 mt-30 -110.08 -7.85 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.86 -56.84 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -69.4 -11.25 60.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -97.95 179.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.25 69.59 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.84 -50.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -75.03 -1.35 11.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -34.92 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 4.3 mp -77.56 -20.39 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.26 55.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -126.01 165.38 18.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.402 ' HA ' ' OD1' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -111.71 80.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.404 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 69.5 p -45.42 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 m -148.33 163.72 36.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.16 80.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 33.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.14 135.51 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.362 1.039 . . . . 0.0 110.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.518 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -155.06 132.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.759 . . . . 0.0 109.36 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' C ' ' HG3' ' A' ' 43' ' ' MET . 4.2 mm-40 -139.27 127.34 22.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.503 ' CE ' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.2 107.8 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.725 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -108.38 107.83 18.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.48 -3.28 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -16.63 29.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -143.92 -72.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 161.05 62.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.725 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 49.9 p90 -158.86 137.55 11.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.128 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -141.75 162.66 34.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.55 108.02 4.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 95' ' ' LEU . 3.7 t -105.13 150.06 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -111.97 144.04 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.624 ' CG2' ' CE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -143.66 118.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -110.12 129.55 55.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 72' ' ' LEU . 6.5 m-85 -119.74 169.32 10.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.12 21.1 17.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' OD1' ' CD2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -62.07 -28.55 69.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 13.8 t70 -38.62 -42.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -38.75 -42.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 117.24 21.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' HG11 ' A' ' 65' ' ' VAL . 19.1 tt0 -66.85 -19.3 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -42.49 57.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.4 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.51 -20.53 43.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.58 -42.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' N ' HG11 ' A' ' 65' ' ' VAL . 1.9 tttm -72.94 -56.49 5.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -53.44 54.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 64' ' ' ALA . . . -49.86 -61.41 5.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 5.8 tt -53.48 -30.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -68.34 -34.38 76.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.34 -45.06 23.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 56' ' ' PHE . 0.3 OUTLIER -70.25 -19.77 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 41.2 mt-30 -80.05 -51.88 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -84.56 5.1 29.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 79' ' ' ILE . 26.2 m -52.45 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.04 -20.4 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -74.72 -44.06 51.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD13 ' CD1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -70.98 -37.65 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.6 -46.09 70.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 m -73.63 -35.32 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.558 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 5.6 tt -65.25 -34.37 78.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.446 HD11 ' CG2' ' A' ' 22' ' ' ILE . 7.5 mp -69.94 -62.03 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.29 -47.46 6.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.56 -41.49 65.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.19 -33.75 72.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.7 ptp -110.74 12.29 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.584 ' C ' ' O ' ' A' ' 87' ' ' MET . 10.4 mtm180 23.45 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD22 ' CG1' ' A' ' 91' ' ' ILE . 4.6 tp -125.87 -153.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -145.24 -44.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -37.58 -37.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 47.4 t 24.25 60.03 0.39 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.506 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.1 Cg_endo -74.99 155.13 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.41 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 8.2 tt0 -66.76 66.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.214 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.509 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.33 89.3 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.8 t -67.7 166.24 15.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.646 ' CD1' HD13 ' A' ' 79' ' ' ILE . 1.7 t80 -122.71 113.03 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -98.88 112.22 24.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -86.77 104.63 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.45 86.11 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -94.62 -173.18 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.03 15.82 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.29 5.48 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.339 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.2 t -132.67 5.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 42.3 mt-10 -155.93 -37.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.04 -3.57 87.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.597 1.185 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.552 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 mtm -124.75 25.31 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.506 ' CD ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.17 45.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.89 86.97 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.26 86.68 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 1.7 t80 -143.47 125.96 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' PHE . . . -37.54 -27.87 0.03 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.594 1.184 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.09 178.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 17.9 Cg_endo -74.99 5.36 4.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 tp60 -77.73 -39.39 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.9 tmm_? -58.19 -52.08 67.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -39.65 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.78 89.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -70.84 -65.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.228 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -38.62 -44.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 0.0 110.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.519 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.01 -39.99 65.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.536 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.5 tm0? -61.69 -33.2 73.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -41.13 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -67.47 -37.52 83.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' A' ' 15' ' ' MET . 4.9 pt -75.86 -44.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 24' ' ' GLN . . . -57.05 -34.5 68.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.09 -57.61 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 83' ' ' LEU . 57.5 mt -57.49 -24.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 11.8 tp -87.12 -14.59 40.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -109.96 -7.66 14.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -114.86 -50.52 2.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' CG ' ' HG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -76.81 -11.53 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.559 ' HB ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -96.3 178.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.547 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.08 72.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.498 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.17 -52.88 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.0 0.75 8.53 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 8.2 ttt180 -90.16 -31.59 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 8.6 mp -81.84 -24.44 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.77 21.27 40.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mpp? -143.08 152.39 41.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 0.763 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpp -91.61 117.74 30.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -80.46 158.01 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.3 m -133.07 168.39 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' CG2' ' A' ' 37' ' ' THR . 49.0 t -132.67 91.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.36 18.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.36 131.34 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 3.5 p -143.14 127.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.46 122.68 28.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 19' ' ' ILE . 2.7 mmm -129.93 104.43 7.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -109.95 105.08 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -103.17 -4.97 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -52.59 -20.82 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.183 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.569 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -147.68 -70.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.54 62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.6 m-85 -147.84 144.26 28.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -158.21 163.35 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.19 109.08 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' HB ' ' CD2' ' A' ' 95' ' ' LEU . 4.2 p -104.73 131.06 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -101.54 144.12 30.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.565 ' HB ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -144.46 122.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.91 130.86 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.599 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 3.4 m-85 -123.63 163.7 20.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.25 16.19 17.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.5 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -58.04 -30.86 66.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -38.89 -42.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.7 mtmt -39.05 -42.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.48 117.25 21.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -66.89 -20.1 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -42.91 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.5 -20.12 44.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.73 -42.47 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.69 -52.92 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.71 -53.11 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.79 -61.46 6.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 5.1 tt -56.39 -29.41 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 25.8 mttt -67.55 -33.4 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.16 -41.2 29.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.599 HD23 ' CZ ' ' A' ' 56' ' ' PHE . 0.4 OUTLIER -70.27 -23.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.16 -52.0 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.42 -29.69 70.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.53 12.55 24.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.409 ' O ' HG12 ' A' ' 79' ' ' ILE . 12.7 m -56.27 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.34 -24.86 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.41 -43.99 68.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 110.943 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.577 HD11 ' CD1' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -66.42 -39.67 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -62.57 -43.22 99.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -76.06 -30.97 58.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -61.32 -45.31 94.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 9.4 mp -69.76 -48.44 59.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -52.09 -44.81 57.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.607 1.192 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -77.6 -42.3 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.5 -31.08 70.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.581 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.5 ttm -119.0 20.14 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.581 ' C ' ' O ' ' A' ' 87' ' ' MET . 27.7 mtp180 23.22 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -125.28 167.69 14.54 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' ILE . 3.8 ptt-85 -116.69 -40.66 3.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.6 pt -39.15 -32.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 75.1 t 23.68 59.4 0.35 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.7 Cg_endo -74.89 153.22 42.2 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.591 1.837 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -67.31 69.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.528 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -71.0 89.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 t -67.18 165.9 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.577 ' CD1' HD11 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -118.87 112.87 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -106.16 115.46 30.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.53 110.32 21.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.583 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -112.56 88.11 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -98.76 -173.58 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.22 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 102' ' ' SER . 1.2 t -89.6 15.4 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.437 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -99.88 3.1 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.7 t -130.27 -0.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 9.4 mt-10 -147.51 -41.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.49 9.41 72.39 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.4 OUTLIER -135.83 14.36 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.501 ' CD ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.429 0.156 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.65 -172.33 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -146.63 86.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.225 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.76 85.21 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' ARG . 2.2 t80 -144.85 136.37 25.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -39.39 -25.86 0.06 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.19 177.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.0 5.04 4.22 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.5 1.789 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -77.71 -39.99 42.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.99 -44.49 87.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' MET . 30.7 t -74.89 -34.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.404 1.065 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.527 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 5.4 mm100 -66.82 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.97 -42.03 1.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.527 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 13.5 mtp -75.58 -36.79 60.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.535 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.8 tt0 -64.06 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -77.15 -42.92 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.8 -41.28 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 15' ' ' MET . 5.4 pt -73.37 -49.27 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -52.59 -36.27 55.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -69.43 -60.67 2.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.4 mt -57.64 -21.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.517 HD21 ' CG2' ' A' ' 54' ' ' VAL . 13.7 tp -87.35 -17.17 33.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 6.4 mt-30 -111.65 -6.72 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.55 -57.65 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.632 1.208 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' OE2' ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.54 -18.24 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.547 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.2 178.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.19 72.37 1.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.26 -49.87 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -74.91 -14.73 21.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.558 1.82 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -80.32 -42.62 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.168 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 28' ' ' LYS . 8.5 mt -71.23 -24.1 62.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 85.66 28.95 28.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.8 mpp? -145.35 172.22 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 ttm -115.96 105.15 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.609 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 41.2 p -72.37 158.1 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.0 m -135.07 161.97 33.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.63 88.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 22.77 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -174.11 138.63 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.535 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -149.84 124.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -139.07 136.7 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -139.18 106.26 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -103.97 106.93 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.892 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -100.58 -8.07 23.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.205 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.28 -23.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.598 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -144.03 -72.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.64 60.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 4.0 m-85 -147.53 130.86 16.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 95' ' ' LEU . . . -136.15 159.8 40.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.402 1.064 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.81 115.62 9.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -114.17 119.63 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.494 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 28.7 t80 -85.28 153.9 22.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.628 1.205 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -158.01 130.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.11 130.57 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.372 1.045 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.609 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 2.1 m-85 -120.86 159.8 24.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 111.065 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.43 28.25 7.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -68.14 -24.96 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 2.7 t70 -43.0 -39.29 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.38 -43.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.6 118.62 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' O ' HG11 ' A' ' 65' ' ' VAL . 24.6 tt0 -67.01 -19.59 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -41.73 60.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.29 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -77.16 -41.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -75.51 -50.37 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.41 -50.48 59.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.98 -61.28 7.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 1.5 tt -53.26 -38.37 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -33.86 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.6 -41.36 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.547 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -66.68 -20.44 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -49.79 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -61.0 -28.0 68.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -95.9 16.08 18.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 28.5 p -55.17 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.27 -20.15 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -73.46 -46.76 46.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 111.001 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.496 ' CG1' ' O ' ' A' ' 76' ' ' SER . 14.4 pt -66.27 -39.98 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -62.5 -45.08 94.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -27.36 61.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.5 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -64.9 -43.21 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.68 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.383 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.3 -44.26 6.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -76.16 -38.96 56.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.71 -32.07 70.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.212 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.576 ' O ' ' C ' ' A' ' 88' ' ' ARG . 10.6 ptp -121.95 21.62 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' C ' ' O ' ' A' ' 87' ' ' MET . 0.2 OUTLIER 22.85 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' CD1' HG13 ' A' ' 91' ' ' ILE . 0.3 OUTLIER -118.23 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -119.94 -43.18 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.59 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.6 pt -40.75 -29.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.2 t 24.64 59.31 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.06 158.26 42.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.52 61.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -68.99 87.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.0 t -71.96 165.09 24.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.841 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 15.5 p90 -123.69 109.56 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -89.66 113.54 25.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.841 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.94 94.35 6.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -100.98 93.85 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.369 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 108' ' ' ARG . 24.1 m-20 -89.79 -171.16 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -90.77 16.39 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.85 6.21 45.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 9.6 t -131.58 3.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 63.6 mt-10 -155.26 -37.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.6 -9.14 78.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -149.77 25.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.964 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 9.5 ttp . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.442 0.163 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 1' ' ' MET . . . 168.69 76.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.677 1.235 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 3.4 tptt -147.73 100.28 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.36 85.45 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 t80 -143.75 -174.27 4.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.91 -0.16 72.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -76.81 178.27 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.516 0.774 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.5 Cg_endo -75.01 1.83 7.31 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.425 1.75 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 2.3 tp60 -82.16 -40.4 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 5' ' ' PHE . 16.1 ttt85 -56.12 -61.04 2.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.453 1.095 . . . . 0.0 110.349 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -41.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.26 74.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.531 ' NE2' ' N ' ' A' ' 13' ' ' GLN . 3.1 mm-40 -66.87 -68.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 1.9 mm-40 -41.03 -39.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.52 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.03 -38.25 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.7 tm0? -64.64 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.9 ptmt -75.69 -37.91 59.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.6 tp10 -69.21 -41.8 76.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.52 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.2 pt -75.8 -39.35 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -60.89 -35.61 77.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.06 -58.64 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.0 mt -58.92 -20.8 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 6.6 tt -86.62 -18.26 31.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -110.86 -7.61 14.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -111.37 -61.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' OE1' ' CD2' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.91 -14.37 61.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.57 ' CD1' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.71 -179.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.25 73.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.98 -50.38 0.64 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.01 -16.4 20.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.454 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 2.6 ttt180 -77.22 -25.91 52.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 mt -87.66 -22.29 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.31 60.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.433 1.083 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 14.9 mtm -142.55 165.5 27.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 0.781 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -103.88 121.25 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.529 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 62.6 p -84.95 164.8 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.3 m -141.56 168.0 20.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 37' ' ' THR . 46.3 t -127.21 89.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 30.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.893 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.85 143.83 5.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 11.0 p -152.2 138.7 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' LYS . 10.6 mt-10 -144.93 134.78 23.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.484 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -140.56 109.03 5.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.788 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -110.52 107.38 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 91' ' ' ILE . 3.6 mtp180 -100.48 -1.4 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -16.37 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.211 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.3 tp -144.81 -71.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 160.3 57.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.788 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.5 p90 -151.81 135.55 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -141.86 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -143.21 120.75 11.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 19' ' ' ILE . 1.3 p -118.66 136.1 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -89.35 146.56 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 22.9 m -146.67 119.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.97 124.24 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 54' ' ' VAL . 6.5 m-85 -114.67 161.85 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' SD ' ' A' ' 34' ' ' MET . 9.7 tp -95.9 16.3 18.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.38 -32.31 71.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.7 OUTLIER -40.72 -34.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 1.052 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' N ' ' HD2' ' A' ' 59' ' ' ASP . 12.4 mtpt -43.08 -46.31 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.9 122.92 33.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.5 -23.22 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.362 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.78 71.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.21 -18.83 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.96 -43.19 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -75.99 -48.35 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.7 -52.12 53.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.58 -61.1 7.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.57 HD13 ' CD1' ' A' ' 99' ' ' TYR . 3.6 tt -53.14 -34.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.23 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.23 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.587 HD22 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -70.91 -21.73 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -45.74 18.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -27.71 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 28' ' ' LYS . . . -95.23 17.97 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 11.2 t -58.18 -74.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.24 2.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -46.04 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 76' ' ' SER . 13.5 pt -67.83 -39.63 82.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.06 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -63.37 -44.91 93.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -71.18 -36.54 72.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 1.185 . . . . 0.0 109.979 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.513 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -58.83 -41.94 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.381 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' O ' ' SD ' ' A' ' 87' ' ' MET . 2.1 mt -67.09 -65.62 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -40.44 -51.01 3.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -39.65 79.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.72 -31.09 69.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -113.37 12.56 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 16.7 mtt180 22.36 74.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.112 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 91' ' ' ILE . 1.4 tp -112.64 -153.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.4 ptm180 -142.91 -46.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.1 pt -39.92 -33.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 28.9 t 23.4 61.73 0.37 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 95' ' ' LEU . 18.0 Cg_endo -75.06 157.85 42.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.99 59.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -69.83 90.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.384 1.053 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 t -82.97 166.23 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' CE2' HD22 ' A' ' 72' ' ' LEU . 16.5 p90 -125.37 110.73 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.62 114.35 25.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.603 1.189 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.57 ' CD1' HD13 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -86.34 108.83 18.61 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -114.02 97.19 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -100.87 -178.67 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.511 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.84 7.81 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.913 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.426 ' CD2' HG11 ' A' ' 65' ' ' VAL . 1.6 tp -91.51 2.53 56.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.601 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -137.73 7.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.358 1.036 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.503 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 8.5 mt-10 -152.22 -37.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.51 48.53 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.433 1.083 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.503 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 ptp -112.54 18.74 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 0.707 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 11.5 mmt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . 8.7 mtp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.1 116.97 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.28 86.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.81 84.79 2.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -140.42 124.49 17.51 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 1.111 . . . . 0.0 111.079 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.07 -27.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -56.38 178.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -75.09 5.43 4.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.422 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.88 -41.8 35.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.17 -53.63 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.427 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -61.35 -40.42 86.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.99 87.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.6 mm-40 -70.34 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -38.09 -44.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.497 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.59 -40.8 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.524 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 2.1 tt0 -61.79 -32.96 73.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -41.56 55.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.228 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.9 -39.18 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 2.7 pt -76.8 -39.12 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -60.44 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.03 -60.06 2.46 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' CG2' ' HB3' ' A' ' 26' ' ' GLU . 18.7 mt -59.2 -20.24 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.626 1.204 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.604 ' CD1' ' CG1' ' A' ' 54' ' ' VAL . 9.5 tt -85.21 -16.57 39.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -112.66 -13.91 13.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.42 -65.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -61.09 -18.29 57.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.547 ' CD1' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -81.85 -178.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.85 70.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.211 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.09 -50.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.01 1.63 7.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.433 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.8 ttt180 -93.66 -52.45 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' SD ' ' A' ' 34' ' ' MET . 10.8 mt -66.62 -22.51 66.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.07 31.59 19.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.416 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.9 mpp? -144.85 178.36 8.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.0 106.17 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.474 HG21 ' CD2' ' A' ' 56' ' ' PHE . 64.6 p -69.25 155.0 41.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -129.7 159.58 36.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.72 79.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.76 33.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.644 1.215 . . . . 0.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' HA3' ' CB ' ' A' ' 53' ' ' TYR . . . 179.82 134.63 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 2.5 p -149.51 123.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 0.719 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.15 127.47 32.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -132.0 106.52 8.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.642 1.214 . . . . 0.0 111.047 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.667 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -114.99 109.2 17.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.378 1.049 . . . . 0.0 110.005 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' CG ' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.99 4.75 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -49.22 -32.45 10.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.73 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -142.01 -61.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 161.54 74.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.73 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -163.83 132.72 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.947 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' C ' ' HA ' ' A' ' 95' ' ' LEU . . . -135.59 165.3 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 106.69 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.27 132.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.518 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 43.0 t80 -95.2 151.11 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.604 ' CG1' ' CD1' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -154.07 123.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.98 132.45 56.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 1.4 m-85 -126.7 170.54 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.0 10.94 26.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -49.59 -26.46 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' LYS . 14.2 t70 -39.86 -41.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' ASP . 18.0 mtpt -39.52 -42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -128.39 116.49 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -66.88 -19.15 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.36 -43.57 60.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.4 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -75.37 -43.63 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.215 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' HG11 ' A' ' 65' ' ' VAL . 20.8 ttmt -74.9 -50.4 17.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.5 -61.11 7.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.407 1.067 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.513 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 3.5 tt -54.21 -33.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -67.25 -34.01 76.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.58 58.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.209 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.574 HD23 ' CZ ' ' A' ' 56' ' ' PHE . 64.5 tp -75.91 -25.29 55.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -76.8 -44.58 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.92 -30.3 63.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -85.28 9.88 14.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.502 ' O ' HG12 ' A' ' 79' ' ' ILE . 23.0 m -53.61 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.4 -22.61 0.64 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.78 -47.13 64.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 0.817 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.572 HD13 ' CE1' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -68.74 -34.5 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.416 ' N ' HG12 ' A' ' 79' ' ' ILE . 43.6 ttp85 -65.93 -42.38 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -76.92 -33.24 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -62.26 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' CD2' ' HA ' ' A' ' 19' ' ' ILE . 2.5 mt -71.17 -56.45 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -48.06 -44.46 25.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -76.48 -40.58 49.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -61.45 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.1 mtm -121.18 21.49 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 87' ' ' MET . 30.6 mtp180 22.71 85.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -121.35 -179.52 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.205 . . . . 0.0 109.262 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' N ' ' HG ' ' A' ' 89' ' ' LEU . 5.4 ptt-85 -129.63 -40.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.5 pt -40.1 -31.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 49.5 t 23.61 60.82 0.37 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.98 155.9 43.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.598 1.841 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 4.6 tt0 -67.73 64.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 93' ' ' PRO . 1.7 pp -68.81 91.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -66.43 171.86 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -127.23 109.88 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.445 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -92.18 112.27 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.4 95.17 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -103.89 88.51 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.518 ' ND2' ' N ' ' A' ' 101' ' ' ASN . 0.2 OUTLIER -89.71 -170.05 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.3 15.28 7.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 tp -95.87 4.89 52.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.357 1.035 . . . . 0.0 109.226 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.596 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.7 t -136.02 6.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.6 1.187 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.459 ' CG ' ' C ' ' A' ' 104' ' ' VAL . 2.0 mt-10 -155.01 -36.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.16 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.472 ' O ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -137.91 27.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 107' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.46 0.171 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.2 168.37 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 4.5 tttt -146.84 82.59 1.57 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.54 1.15 . . . . 0.0 109.216 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -70.65 84.66 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.614 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 2.4 t80 -118.25 8.47 12.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.93 -20.96 1.73 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.598 ' HB3' ' HD2' ' A' ' 8' ' ' PRO . 5.0 mtt-85 -74.37 -179.35 0.97 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.598 ' HD2' ' HB3' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.02 3.44 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -85.78 -31.92 22.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.504 ' CG ' ' HA ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -50.54 -57.58 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.241 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.1 t -69.14 -41.77 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -50.56 -39.15 48.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.529 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.6 mm100 -73.69 -64.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -42.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.92 -38.31 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.537 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.5 tm0? -62.6 -35.43 79.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.0 ptmt -76.2 -39.04 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -68.13 -44.42 76.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.7 pt -72.41 -45.09 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -55.2 -38.32 68.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -67.28 -60.3 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.603 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 92.6 mt -58.4 -21.56 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 18.9 tp -88.09 -16.46 33.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -110.86 -7.67 14.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.644 1.215 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.7 -54.67 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.61 -3.25 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.562 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -99.51 -179.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -99.66 70.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -86.12 -49.67 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.3 17.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -85.77 -42.41 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 34' ' ' MET . 62.8 mt -70.77 -26.15 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 89.39 25.33 28.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 33' ' ' GLY . 3.8 mpp? -142.65 161.58 37.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.99 86.58 2.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.619 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 23.4 p -46.33 167.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 38' ' ' VAL . 1.4 m -141.89 162.79 34.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' N ' HG23 ' A' ' 37' ' ' THR . 13.3 p -128.04 80.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.33 29.81 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.98 133.8 2.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.526 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 7.6 p -149.66 134.14 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -135.29 126.55 28.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.416 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 3.0 mmm -132.22 106.6 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.752 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -113.73 106.53 14.6 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.448 1.093 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HG2' ' CG2' ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.9 -4.39 26.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -57.82 -17.19 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.55 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -143.42 -72.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 159.91 62.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.752 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -157.64 136.8 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' C ' ' HA ' ' A' ' 95' ' ' LEU . . . -137.75 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' CG ' ' C ' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -151.3 103.17 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.7 p -99.24 134.67 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -100.83 140.98 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.558 HG22 ' CE1' ' A' ' 97' ' ' PHE . 4.6 m -142.91 120.17 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.85 135.01 50.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.619 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 5.1 m-85 -126.77 166.26 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tp -103.6 17.92 23.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.474 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -58.74 -26.96 64.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . 1.1 t70 -39.25 -40.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.6 mtmt -39.87 -42.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -128.0 117.38 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -66.67 -19.48 65.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -42.68 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.55 44.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.38 1.05 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -76.07 -43.86 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -73.72 -49.86 23.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.64 53.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.33 -61.01 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.403 1.064 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 9.1 tt -54.33 -35.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -63.71 -34.44 77.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.93 -38.66 61.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -73.4 -19.88 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.41 -45.71 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.627 1.204 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.76 -29.74 66.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 79' ' ' ILE . . . -89.5 3.78 51.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -55.17 -69.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.32 -20.85 5.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -41.81 58.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.787 ' CD1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -70.5 -39.24 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.448 ' N ' HG12 ' A' ' 79' ' ' ILE . 23.6 ttp85 -65.29 -46.2 81.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -72.58 -35.27 67.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.603 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 4.4 tt -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.53 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.24 -43.81 7.49 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -75.97 -39.78 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 109.371 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.87 70.58 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.588 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -113.6 14.33 18.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.4 mtm-85 22.45 73.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.647 1.217 . . . . 0.0 110.27 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -154.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 9.3 ptm180 -143.25 -43.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.604 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -37.23 -38.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.0 t 22.91 59.97 0.33 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.89 153.38 42.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.447 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -66.68 69.69 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' HA ' ' C ' ' A' ' 50' ' ' ALA . 1.1 pp -70.67 94.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 t -66.65 160.65 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.787 ' CE2' ' CD1' ' A' ' 79' ' ' ILE . 0.2 OUTLIER -110.99 102.65 11.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -93.41 111.14 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -97.35 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -112.68 86.72 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.232 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -170.0 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.412 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.17 9.8 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.016 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.3 tp -93.31 1.55 56.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.0 OUTLIER -133.66 4.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.507 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 10.2 mt-10 -148.77 -40.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.28 54.22 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.507 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -121.54 32.52 5.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.777 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' NE ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 O-C-N 124.402 1.064 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.53 0.205 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.97 177.08 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HD3' ' CG ' ' A' ' 9' ' ' GLN . 5.6 tttt -145.88 87.14 1.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.64 85.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -143.85 121.76 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.19 -27.12 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -58.03 178.79 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.393 0.702 . . . . 0.0 110.241 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.6 Cg_endo -75.02 4.88 4.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.467 ' CG ' ' HD3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -77.8 -37.47 48.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.364 1.04 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.47 -62.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' MET . 2.2 t -55.76 -43.4 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.07 -34.6 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.0 mm-40 -76.71 -71.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -31.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.461 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 53.4 mtp -80.77 -44.48 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.542 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 2.4 tm0? -63.22 -37.53 87.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.186 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.9 ptmt -78.12 -37.81 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.2 tp10 -66.73 -53.55 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 15' ' ' MET . 2.3 pt -64.28 -42.26 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.648 1.217 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.92 -37.98 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -65.23 -58.58 5.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.7 mt -59.29 -22.97 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 27' ' ' ILE . 13.5 tp -86.53 -16.58 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -111.14 -7.21 14.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -113.85 -56.08 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.486 ' CB ' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.32 -17.57 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 HD12 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -92.39 177.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' N ' ' CG2' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.06 70.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.33 -50.88 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.06 -31.92 5.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -21.66 64.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mp -78.56 -26.34 45.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.71 11.62 49.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 58' ' ' ASN . 3.6 mtt -128.56 -165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.16 78.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.653 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 41.6 p -43.05 155.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.2 m -137.63 161.3 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.369 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 5.8 p -121.81 73.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 t -43.38 -48.96 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' O ' ' CG2' ' A' ' 41' ' ' VAL . . . -155.26 171.73 33.45 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 38' ' ' VAL . 61.4 t -153.38 129.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.342 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.53 110.78 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.323 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.5 104.58 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.87 106.84 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.075 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.91 0.72 47.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.04 -23.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -144.56 -61.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 164.58 80.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 37.3 m-85 -158.87 135.71 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -146.35 95.9 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.5 33.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 5.3 p -114.42 123.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -80.28 137.06 36.55 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.392 1.057 . . . . 0.0 110.927 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.594 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -141.85 117.48 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -105.33 128.07 53.29 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.653 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 6.0 m-85 -117.81 161.25 20.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' SD ' ' A' ' 34' ' ' MET . 11.1 tp -95.91 19.96 10.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.515 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -59.68 -33.24 71.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -40.53 -34.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.3 -49.06 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.72 126.26 41.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -67.58 -24.67 65.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -42.61 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.03 -19.22 48.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.515 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.61 -42.94 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.397 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -75.97 -51.0 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.253 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.49 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.09 7.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 99' ' ' TYR . 1.6 tt -53.62 -32.09 20.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.41 -33.41 75.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.14 -43.89 23.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.576 HD21 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -67.34 -21.8 65.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -80.89 -52.92 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.1 pp20? -57.56 -31.71 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -88.59 14.08 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 5.6 t -56.78 -74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.7 -20.03 3.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.408 1.068 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.58 -43.92 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CG1' ' O ' ' A' ' 76' ' ' SER . 18.4 pt -71.74 -40.7 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.6 -47.8 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.8 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.6 tt -64.87 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 3.6 mt -69.13 -57.76 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -46.34 -49.86 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -70.92 -40.85 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.27 -32.66 70.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -112.07 11.91 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 6.3 mtt180 23.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 91' ' ' ILE . 6.8 tp -118.41 -151.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 92' ' ' VAL . 12.8 ptt-85 -149.38 -42.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.562 ' O ' ' C ' ' A' ' 92' ' ' VAL . 0.7 OUTLIER -39.76 -28.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.562 ' C ' ' O ' ' A' ' 91' ' ' ILE . 67.8 t 26.9 57.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.0 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.88 61.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -64.93 87.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -107.78 173.79 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 72' ' ' LEU . 3.0 p90 -138.17 124.09 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.33 120.2 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -82.55 101.19 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.504 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -108.79 90.59 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -172.39 2.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.51 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -91.43 14.05 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.414 ' CD2' HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.07 -2.21 32.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.8 t -129.8 -2.8 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.524 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.0 mt-10 -139.68 -38.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.48 19.04 64.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.524 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.1 ptp -155.57 29.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' NE ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.514 0.197 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 176.11 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -147.55 95.76 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -105.63 86.7 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.587 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 3.3 t80 -138.16 136.8 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.37 -25.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.46 1.1 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.39 178.07 0.18 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.404 0.708 . . . . 0.0 110.214 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.0 4.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.23 -42.44 37.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 1.6 tmm_? -55.51 -58.79 6.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -53.38 -40.69 41.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -61.55 -39.33 90.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.531 HE21 ' N ' ' A' ' 13' ' ' GLN . 2.1 mm-40 -68.45 -64.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.24 -43.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.508 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.74 -37.1 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.8 tm0? -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.7 ptmt -76.12 -38.74 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 tp10 -68.73 -36.28 78.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 15' ' ' MET . 4.8 pt -80.27 -40.02 19.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.217 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -62.37 -33.43 74.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.57 -57.44 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 89.2 mt -58.47 -24.49 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.518 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -87.44 -17.75 31.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 12.7 mt-30 -107.84 -5.47 17.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.5 tmt_? -115.42 -57.34 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.13 -19.7 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.525 HG21 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -86.11 178.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' N ' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -97.08 74.19 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.86 -52.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.95 -20.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -72.69 -29.91 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 6.6 mp -109.47 25.47 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 36.94 32.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 58' ' ' ASN . 15.7 mtm -128.84 146.95 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -107.95 74.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.521 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 50.3 p -36.0 148.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.5 m -128.62 158.36 38.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.42 87.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 17.65 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.082 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.72 136.19 3.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.531 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 5.6 p -145.83 123.7 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' SD ' ' A' ' 43' ' ' MET . 2.0 mt-10 -138.85 123.26 18.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 1.5 mmm -122.44 105.28 10.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' TYR . 19.2 m -103.83 106.02 16.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -99.88 -1.55 37.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.594 1.184 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -23.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.198 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.2 mt -144.61 -61.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 162.34 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 47.7 m-85 -163.52 136.66 5.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.679 ' O ' ' HA ' ' A' ' 95' ' ' LEU . . . -136.58 95.24 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 112.1 20.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 19' ' ' ILE . 4.3 p -116.52 134.67 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -90.24 149.75 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 9.8 m -153.4 120.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.23 133.3 55.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.594 ' CZ ' HD13 ' A' ' 72' ' ' LEU . 2.9 m-85 -121.58 167.92 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 34' ' ' MET . 7.1 tp -103.08 17.52 23.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.522 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.21 -32.17 70.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 mtpp -38.63 -44.0 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.03 119.88 26.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -66.31 -22.53 66.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -43.98 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.09 -19.75 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.522 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.12 -42.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -73.04 -51.14 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.98 -52.8 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.53 -62.04 6.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.442 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -52.17 -35.52 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 69' ' ' ILE . 3.5 mtpp -61.94 -35.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.3 43.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.594 HD13 ' CZ ' ' A' ' 56' ' ' PHE . 0.6 OUTLIER -68.18 -19.63 64.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -84.29 -51.72 6.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 110.391 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.77 -33.59 68.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.42 13.4 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 44.0 p -56.57 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.04 -20.32 3.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.57 -43.49 55.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.512 ' CG2' ' OE1' ' A' ' 26' ' ' GLU . 16.4 pt -71.46 -38.48 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -67.49 -48.14 67.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m -70.18 -37.97 75.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 109.939 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.51 HD21 ' CG ' ' A' ' 26' ' ' GLU . 1.1 tt -62.74 -34.19 76.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 6.6 mt -68.31 -59.0 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.26 -50.83 9.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -40.89 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.92 -31.58 69.96 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.48 1.113 . . . . 0.0 109.194 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.563 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -111.45 12.68 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 87' ' ' MET . 53.9 mtp180 22.62 75.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 tp -112.43 -150.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.444 ' C ' ' N ' ' A' ' 92' ' ' VAL . 3.0 ptt180 -151.31 -44.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.58 ' O ' ' C ' ' A' ' 92' ' ' VAL . 2.2 pt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.58 ' C ' ' O ' ' A' ' 91' ' ' ILE . 22.0 t 24.95 59.93 0.42 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.575 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.0 159.1 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.23 63.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.679 ' HA ' ' O ' ' A' ' 50' ' ' ALA . 1.1 pp -66.4 90.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -88.27 159.06 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.543 ' CE2' HD22 ' A' ' 72' ' ' LEU . 16.1 p90 -124.92 114.0 18.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.53 114.64 26.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.84 101.91 13.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.28 87.78 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -88.98 -172.14 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.416 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -89.63 13.96 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 110.014 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.439 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 2.0 tp -96.21 3.27 53.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.573 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 6.7 t -136.57 10.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.502 ' CG ' ' HE2' ' A' ' 107' ' ' MET . 1.8 mp0 -158.12 -38.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.04 -16.85 40.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.502 ' HE2' ' CG ' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -113.13 24.68 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.431 0.158 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.33 149.82 35.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -146.24 86.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.7 85.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 1.4 t80 -141.77 123.3 15.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.84 -26.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.554 1.158 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.56 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.45 178.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.417 0.716 . . . . 0.0 110.366 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 5.57 3.88 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.558 1.82 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -38.74 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.24 -57.39 12.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.06 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.26 76.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.2 mm-40 -72.04 -65.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.1 -42.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.506 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.67 -39.1 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.529 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.7 tm0? -63.75 -33.7 76.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.24 52.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.21 -45.54 73.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 110.237 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.9 pt -69.57 -47.27 72.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.46 -34.9 67.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.97 -59.28 3.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.9 mt -59.06 -24.16 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.538 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.8 tp -86.5 -15.99 38.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -110.59 -9.48 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.1 mpt_? -111.29 -59.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' OE1' ' CG2' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.5 -11.67 58.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -89.91 179.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' N ' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.39 72.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.572 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.11 -55.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.01 -8.82 20.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -84.2 -44.04 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' CD2' ' OD1' ' A' ' 58' ' ' ASN . 8.9 mp -73.36 -23.62 60.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 14.85 46.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.443 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -133.04 147.71 52.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 105.01 16.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.538 HG23 ' CE2' ' A' ' 56' ' ' PHE . 75.6 p -63.85 151.26 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.412 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.68 86.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.214 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 28.68 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.5 137.39 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.529 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 11.6 p -150.46 133.28 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.443 0.731 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.05 121.08 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.481 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -122.2 104.88 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.8 m -109.88 106.07 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -101.84 -6.17 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.45 -23.39 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.28 -71.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 171.14 73.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 27.1 m-85 -153.05 140.22 19.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' HB2' ' CD2' ' A' ' 95' ' ' LEU . . . -152.56 113.94 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 119.24 38.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' HD11 ' A' ' 19' ' ' ILE . 1.3 p -118.82 129.97 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.87 151.05 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.537 ' CG1' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -150.94 117.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.24 126.2 52.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.45 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.538 ' CE2' HG23 ' A' ' 36' ' ' THR . 3.8 m-85 -116.49 165.62 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.37 26.7 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.502 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -70.39 -31.08 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' LYS . 1.5 t70 -38.58 -43.3 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ASP . 1.8 mtmt -37.86 -42.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.93 116.9 20.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -66.95 -19.73 65.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -43.71 62.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -19.43 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.516 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -74.68 -43.67 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.445 ' N ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -74.72 -52.46 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -52.65 61.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.35 -61.65 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.516 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 8.4 tt -55.86 -29.78 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -68.4 -32.35 72.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 74' ' ' GLU . . . -82.42 -45.94 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HG ' ' CE2' ' A' ' 97' ' ' PHE . 23.9 tp -54.89 -36.06 64.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.218 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 19.1 pt20 -77.03 -47.87 19.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 1.3 pt-20 -54.33 -20.95 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.27 17.2 21.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 48.0 t -55.48 -71.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.2 -21.02 0.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.0 -44.41 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.4 pt -70.36 -40.54 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp-105 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.213 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -71.04 -32.82 69.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.411 1.069 . . . . 0.0 110.01 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.5 tt -66.63 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 12.3 mt -69.56 -56.64 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -47.55 -50.3 19.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -69.75 -41.78 74.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.61 -30.92 70.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 88' ' ' ARG . 3.8 ttm -110.71 11.96 22.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.9 mtm180 23.53 76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.74 -177.54 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -121.36 -40.61 2.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.525 1.14 . . . . 0.0 110.255 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.584 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.1 pt -38.36 -33.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.584 ' C ' ' O ' ' A' ' 91' ' ' ILE . 37.1 t 24.93 58.3 0.39 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.572 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.99 170.3 20.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -68.05 62.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -68.16 87.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.15 171.0 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 23.2 p90 -132.96 117.55 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.58 118.39 30.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -87.38 109.94 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 105' ' ' GLU . 1.1 t70 -115.81 86.5 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -93.32 -172.54 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.409 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.86 11.94 21.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.411 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.1 tp -97.33 -1.36 44.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.7 t -131.27 -1.12 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.535 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 2.8 mt-10 -141.08 -39.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.58 -9.43 64.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.535 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -123.41 26.43 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 105' ' ' GLU . 4.2 mpt_? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.1 175.62 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' CB ' ' HG3' ' A' ' 13' ' ' GLN . 4.8 tptt -94.82 87.1 4.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.5 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -144.27 118.03 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -36.79 -28.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.622 1.201 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -59.36 177.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.13 5.42 4.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -36.01 47.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.53 -53.95 52.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.0 OUTLIER -65.62 -40.84 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' CA ' ' HE2' ' A' ' 43' ' ' MET . . . -57.62 -40.24 78.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.6 mm-40 -71.18 -71.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.11 -32.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.535 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 35.6 mtp -79.82 -43.05 23.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.9 tm0? -63.35 -35.74 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.95 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.68 -40.44 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' CG2' ' O ' ' A' ' 15' ' ' MET . 5.3 pt -75.46 -49.4 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -54.35 -33.71 59.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.063 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -70.79 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.513 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 43.0 mt -58.52 -25.1 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.4 tp -88.29 -15.95 34.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 31.9 mt-30 -109.19 -6.2 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 21' ' ' LEU . 27.5 mtp85 -115.59 -54.58 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 -15.62 62.77 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -85.4 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.29 74.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.529 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -94.47 -53.4 0.24 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.401 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.529 ' HD3' ' HB3' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.93 -30.53 7.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -70.09 -60.19 2.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD23 ' CB ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -59.1 -27.55 65.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.88 41.1 8.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 11.8 mtt -146.62 -174.31 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.45 82.4 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.5 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 69.4 p -45.65 145.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.4 m -124.59 161.9 25.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' NE2' ' A' ' 16' ' ' GLN . 3.9 p -118.8 90.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.17 29.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.7 135.86 3.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.512 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -144.62 121.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LYS . 24.6 mt-10 -133.96 95.2 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.47 ' HE2' ' CA ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -104.01 102.61 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 111.102 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.457 ' O ' ' O ' ' A' ' 49' ' ' TYR . 3.1 m -113.73 105.49 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -101.27 -0.36 35.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.81 -22.26 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.12 -62.76 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.614 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 163.22 77.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.358 1.036 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 35.0 m-85 -157.59 137.7 12.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.572 ' CB ' ' CD1' ' A' ' 95' ' ' LEU . . . -145.52 95.22 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -90.26 104.01 16.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -102.79 152.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 14.6 t80 -107.6 153.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -155.72 121.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.12 121.8 40.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.0 m-85 -112.75 153.13 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD12 ' NH2' ' A' ' 108' ' ' ARG . 18.1 tp -90.04 16.05 9.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.516 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -54.16 -28.36 39.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -39.49 -36.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -39.97 -47.6 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.24 122.68 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.3 tm-20 -67.3 -23.14 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -42.75 69.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -18.81 48.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.37 -44.2 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 65' ' ' VAL . 6.0 tttt -74.85 -51.6 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.372 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.48 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.15 -60.91 7.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.407 1.067 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 70' ' ' LYS . 7.8 tt -55.29 -27.98 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG23 ' A' ' 69' ' ' ILE . 3.2 tptm -70.33 -33.42 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -74.11 -44.64 53.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 56' ' ' PHE . 2.0 tp -72.21 -19.75 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -45.8 24.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -71.26 -27.36 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -90.03 14.75 11.5 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -55.85 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.82 -18.23 4.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -76.01 -42.62 47.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.995 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 76' ' ' SER . 14.5 pt -71.18 -39.36 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -66.23 -46.3 77.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -73.95 -33.35 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER -65.61 -33.77 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.65 -57.02 4.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.32 -46.38 21.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -74.23 -41.47 61.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.18 -30.3 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.572 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.4 ttm -112.42 12.34 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 87' ' ' MET . 8.4 mtt85 22.72 76.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.424 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.8 tp -114.5 -151.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.464 ' C ' ' N ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -149.92 -43.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.583 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -39.81 -29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 ' C ' ' O ' ' A' ' 91' ' ' ILE . 63.1 t 25.51 59.42 0.45 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.529 ' HB3' ' HA ' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.96 167.01 28.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.541 1.811 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -67.84 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' CD1' ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.79 86.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.01 168.26 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.741 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 11.2 p90 -131.04 113.4 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.468 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.741 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.02 99.78 12.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.76 87.09 2.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -171.02 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.83 12.77 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.046 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.452 ' CD2' HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -93.41 1.89 56.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.526 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 2.2 t -133.96 1.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.513 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.9 mt-10 -145.92 -36.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 92.28 -34.05 4.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -136.43 26.79 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 0.734 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.42 ' N ' ' HD3' ' A' ' 108' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.585 0.231 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.59 127.54 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -148.28 86.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -92.88 86.58 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -143.07 134.3 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.73 -24.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.435 1.085 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.23 178.52 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.6 Cg_endo -75.01 5.02 4.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -78.4 -40.64 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -57.63 -61.12 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -42.77 43.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.408 1.067 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.96 80.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 21.2 mm-40 -71.04 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -41.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.502 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.54 -39.74 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.52 ' HG3' ' CG1' ' A' ' 41' ' ' VAL . 1.8 tm0? -64.31 -34.05 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.65 -40.26 56.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 8.0 tp10 -68.25 -41.11 81.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' MET . 4.1 pt -74.29 -44.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.32 -35.02 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.47 -59.99 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.3 mt -58.78 -20.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -86.66 -18.05 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.34 -7.43 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.65 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.484 ' CG ' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.58 -20.69 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -80.93 175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.0 72.14 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.566 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -88.04 -48.35 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -75.06 -14.56 20.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.388 1.731 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -83.68 -49.12 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 2.2 mp -70.7 -23.52 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 84.31 34.1 18.13 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -137.87 167.06 22.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 0.776 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.407 ' HA ' ' OD1' ' A' ' 29' ' ' ASP . 1.4 ttp -115.7 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.521 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 63.3 p -38.82 158.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.7 m -138.67 165.22 27.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 37' ' ' THR . 71.1 t -124.61 83.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.18 22.56 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.1 136.47 3.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.52 ' CG1' ' HG3' ' A' ' 16' ' ' GLN . 7.4 p -151.71 136.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -148.12 134.76 19.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.214 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.471 ' HE2' ' CG2' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -134.19 108.43 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -105.2 107.24 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.483 ' CG ' HD13 ' A' ' 91' ' ' ILE . 1.8 mpp_? -101.36 -4.42 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -50.25 -22.77 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -145.88 -66.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 163.58 60.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.1 m-85 -146.82 130.19 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 95' ' ' LEU . . . -137.33 156.34 48.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 112.53 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.48 HG22 ' CD1' ' A' ' 19' ' ' ILE . 2.0 p -109.91 123.19 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' A' ' 56' ' ' PHE . 6.5 m -152.16 119.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.634 1.209 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.72 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 54' ' ' VAL . 5.4 m-85 -119.38 169.41 10.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tp -109.3 27.59 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.194 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.502 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -71.79 -29.2 64.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' LYS . 2.1 t70 -39.32 -43.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.6 mttt -37.73 -43.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.46 117.42 22.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -66.69 -20.37 65.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.226 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -43.57 64.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.06 -19.89 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.182 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.14 -39.93 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -75.9 -52.35 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.9 71.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.95 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 65' ' ' VAL . 1.1 tt -53.73 -34.2 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.47 80.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.09 -40.07 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.563 HD22 ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -72.66 -19.33 61.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -47.99 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.3 pt-20 -68.88 -30.63 69.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.28 18.54 6.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.1 t -63.1 -74.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.91 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.5 -19.06 2.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.33 -44.51 44.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.724 . . . . 0.0 111.07 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.1 pt -68.69 -37.82 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -66.87 -45.76 77.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -70.78 -34.85 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 4.3 tt -64.48 -37.63 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -66.72 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -41.42 -52.63 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.628 1.205 . . . . 0.0 111.047 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -67.26 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 0.807 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -59.09 -33.59 71.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.8 ptp -110.51 12.32 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 3.3 mtt180 22.9 74.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD21 ' CG1' ' A' ' 91' ' ' ILE . 2.5 tp -112.08 -152.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 92' ' ' VAL . 28.4 ptt180 -146.26 -45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.3 pt -40.65 -29.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.588 ' C ' ' O ' ' A' ' 91' ' ' ILE . 48.7 t 23.4 61.08 0.36 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.0 Cg_endo -75.04 159.36 41.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -68.2 59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -69.49 87.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 52' ' ' VAL . 2.7 t -79.97 165.94 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.563 ' CE2' HD22 ' A' ' 72' ' ' LEU . 14.2 p90 -124.94 108.91 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.05 114.15 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.92 100.81 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 0.0 111.048 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 91.75 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.442 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -93.24 -174.54 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -85.84 12.66 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.923 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.436 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 2.8 tp -95.3 0.49 53.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 27.7 t -140.05 7.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 4.3 mm-40 -148.45 -37.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.68 -39.21 3.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.5 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.2 ptp -87.31 15.32 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 10.0 mmt-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.4 0.143 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.32 -171.66 2.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 19.4 tptp -133.94 87.35 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.26 85.12 7.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.605 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 2.0 t80 -137.65 128.46 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' PHE . . . -37.07 -28.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.605 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 3.1 mtt-85 -56.1 178.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.576 0.809 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -75.04 4.92 4.33 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.16 -38.53 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -59.79 -42.5 93.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -34.23 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.05 92.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' GLN . 8.4 mm-40 -69.34 -65.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.255 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -42.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.508 ' O ' ' CG2' ' A' ' 19' ' ' ILE . 90.8 mtp -74.86 -37.08 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 1.9 tm0? -64.54 -36.06 83.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 pttt -77.5 -37.8 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.3 tp10 -68.12 -43.82 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 15' ' ' MET . 3.4 pt -74.01 -43.15 52.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.8 -33.71 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -71.57 -56.67 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 76.2 mt -58.89 -23.62 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 12.6 tp -86.61 -15.24 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -110.99 -9.04 14.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 11.5 mmt180 -113.63 -59.06 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CB ' HD21 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.59 -19.56 65.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -81.7 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.95 71.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.86 -51.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -74.96 -6.21 17.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.45 -15.25 19.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.648 1.218 . . . . 0.0 110.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.1 mt -88.24 -24.74 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 90.66 23.16 31.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.432 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.0 mpp? -153.07 175.02 13.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.49 125.97 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.663 ' CG2' ' CD1' ' A' ' 56' ' ' PHE . 41.3 p -88.27 168.21 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 38' ' ' VAL . 1.5 m -143.63 166.28 25.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 8.9 p -126.56 86.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.39 28.79 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.045 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.35 138.94 3.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' CB ' ' HG3' ' A' ' 16' ' ' GLN . 3.2 t -151.69 148.47 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.595 0.821 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.8 mt-10 -155.29 131.95 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -135.22 107.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.767 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -106.24 107.23 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -0.46 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.48 -15.75 40.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.36 -70.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 47' ' ' LEU . . . 160.5 56.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.767 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -152.09 130.41 12.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' CB ' ' HG ' ' A' ' 95' ' ' LEU . . . -139.25 151.31 46.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -133.95 122.37 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' CG2' HD11 ' A' ' 19' ' ' ILE . 1.9 p -118.02 127.64 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -85.05 144.21 28.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.611 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -148.41 118.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.57 129.7 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.663 ' CD1' ' CG2' ' A' ' 36' ' ' THR . 4.8 m-85 -118.87 167.09 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.05 16.0 25.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.28 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.445 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -38.12 -43.57 0.76 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.8 mtpt -39.31 -41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.76 118.62 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -19.8 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -43.75 55.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.47 49.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.63 -42.68 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' N ' HG13 ' A' ' 65' ' ' VAL . 2.5 tttt -72.07 -58.2 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.54 44.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.61 5.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.657 ' CD1' ' CD1' ' A' ' 99' ' ' TYR . 4.4 tt -57.73 -28.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' N ' HG21 ' A' ' 69' ' ' ILE . 4.1 mtpt -68.58 -29.88 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.58 -41.53 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.52 ' CD2' HG12 ' A' ' 27' ' ' ILE . 69.0 mt -65.41 -29.88 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -79.03 -48.02 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -63.66 -20.57 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.83 20.1 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 71.4 m -54.51 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.06 -23.15 1.03 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -72.47 -44.92 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 111.046 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 97' ' ' PHE . 16.5 pt -71.91 -40.87 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' A' ' 93' ' ' PRO . 1.7 ttp85 -66.69 -48.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.5 t -69.29 -34.14 74.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.595 ' CD2' ' CG2' ' A' ' 22' ' ' ILE . 6.5 tt -65.0 -34.81 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 79' ' ' ILE . 5.1 mt -69.23 -58.15 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.94 -51.01 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -69.07 -41.23 77.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.47 -31.13 70.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.0 ttm -110.9 11.43 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' C ' ' O ' ' A' ' 87' ' ' MET . 29.7 mtt85 23.61 76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.295 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.1 tp -116.41 -153.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -145.76 -45.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.578 ' O ' ' C ' ' A' ' 92' ' ' VAL . 1.2 pt -42.3 -31.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ILE . 26.1 t 24.59 60.24 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.182 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.503 ' HD3' ' N ' ' A' ' 92' ' ' VAL . 18.6 Cg_endo -74.94 160.95 39.71 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 50' ' ' ALA . 2.4 tt0 -66.46 59.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 93' ' ' PRO . 0.2 OUTLIER -68.41 90.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.402 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.2 t -90.46 163.04 14.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 79' ' ' ILE . 21.1 p90 -122.38 112.5 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.92 115.2 27.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.657 ' CD1' ' CD1' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -83.81 104.69 14.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -108.63 87.53 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 3.9 m-20 -94.58 -175.06 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.453 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -83.24 10.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.423 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.5 tp -93.1 2.58 56.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.62 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -138.09 9.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.516 ' CG ' ' HE3' ' A' ' 107' ' ' MET . 6.2 mt-10 -155.14 -37.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.86 -35.21 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.516 ' HE3' ' CG ' ' A' ' 105' ' ' GLU . 2.1 ptp -90.03 10.49 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.453 ' C ' ' OG ' ' A' ' 102' ' ' SER . 12.6 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -84.67 -38.32 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -63.25 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.09 -41.01 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.7 -36.13 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 1.2 mm100 -69.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.83 -38.39 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.08 -39.2 60.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.95 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.4 tm0? -64.91 -35.65 81.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.91 -38.14 58.04 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.6 tp10 -68.45 -43.36 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -74.26 -36.65 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -63.06 -34.82 78.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.621 1.201 . . . . 0.0 109.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -71.96 -59.1 2.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.627 HG23 ' HB3' ' A' ' 26' ' ' GLU . 14.7 mt -60.88 -19.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.043 HD21 ' CG1' ' A' ' 54' ' ' VAL . 7.3 tt -85.07 -19.27 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 3.8 mt-30 -111.95 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.0 mtm180 -109.04 -62.08 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.627 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.71 -21.16 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -78.4 179.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.85 73.12 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.87 -45.48 0.68 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -74.98 -21.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -81.51 -15.85 53.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 1.7 mp -110.59 14.55 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.94 37.41 0.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 76.6 mtm -150.51 155.35 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 128.83 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -91.61 165.46 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.537 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -135.23 164.77 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 37' ' ' THR . 69.0 t -127.02 80.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.29 33.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.51 136.67 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.95 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.0 mm-40 -142.52 127.27 18.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.627 ' CE ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.75 106.95 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.747 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.24 107.91 17.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.866 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.61 -5.58 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.88 -18.79 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.89 -71.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.67 61.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.747 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -155.88 133.96 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.841 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -139.75 164.95 28.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.76 113.66 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 96' ' ' THR . 9.9 p -108.68 145.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -112.64 141.4 46.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.043 ' CG1' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.77 122.92 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.3 OUTLIER -110.41 131.08 55.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.098 . . . . 0.0 110.44 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.1 m-85 -123.23 168.13 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.77 17.41 24.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.884 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.8 m-20 -57.58 -27.66 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 102' ' ' SER . 5.8 t70 -41.37 -35.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -41.33 -43.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.59 120.42 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -66.94 -18.44 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -39.88 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.93 -24.02 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.884 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -76.45 -42.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 69' ' ' ILE . 53.3 tttt -71.7 -56.2 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.76 -53.7 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.44 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -48.05 -61.84 4.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CD2' ' A' ' 99' ' ' TYR . 5.7 tt -52.36 -36.98 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.381 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.39 -35.75 76.48 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.16 68.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 27' ' ' ILE . 16.4 tp -73.17 -24.12 60.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.56 -44.8 41.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -68.94 -33.48 73.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.63 10.47 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 35.4 t -55.12 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.37 -19.22 4.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.17 -43.06 54.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 ' CE1' ' A' ' 97' ' ' PHE . 15.6 pt -71.71 -38.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -67.2 -46.68 73.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 t -71.72 -36.89 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -64.5 -33.04 74.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 79' ' ' ILE . 13.5 mt -70.76 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.58 8.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.36 -40.05 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.54 -32.34 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -112.42 14.5 20.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 83.3 mtt180 22.42 78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.4 tp -119.25 -150.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.6 ptt-85 -148.12 -44.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.866 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -37.37 -36.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.1 t 23.75 60.12 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.99 157.2 42.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.26 66.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.841 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -72.8 90.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.7 t -68.41 161.65 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.37 103.55 10.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.057 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -92.35 121.36 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.91 103.33 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 1.5 t0 -105.31 87.88 2.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.87 -170.69 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.4 15.7 11.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.562 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -101.1 2.44 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.1 t -132.21 3.15 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 21.0 mt-10 -150.13 -38.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.37 -5.16 78.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -123.7 25.71 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 111.011 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' OE2' ' A' ' 105' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.544 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -78.51 -37.13 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.95 -59.08 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 15' ' ' MET . 45.2 t -54.76 -44.53 71.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.39 88.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -64.79 -70.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.19 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 15' ' ' MET . 7.8 pt-20 -38.73 -37.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.85 -42.86 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.601 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 tm0? -64.2 -35.3 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.54 -39.64 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.77 -41.3 83.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.212 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -76.69 -38.54 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -59.04 -35.78 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -74.99 -59.41 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' GLU . 68.4 mt -57.74 -21.01 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.052 HD11 ' CG1' ' A' ' 54' ' ' VAL . 10.3 tt -87.66 -16.59 33.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -114.52 -61.46 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.767 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.85 -19.03 65.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.795 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.79 175.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.79 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.68 72.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.229 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.63 -46.24 0.61 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.9 -10.72 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -87.27 -25.8 23.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 28' ' ' LYS . 1.7 mm? -84.98 -22.7 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.91 21.18 58.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.561 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 34.3 mtm -146.07 151.79 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 ttp -88.66 101.17 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 56' ' ' PHE . 38.6 p -60.72 169.8 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.628 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -145.42 162.99 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 69.0 t -127.88 85.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 13.57 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.41 124.44 1.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 16' ' ' GLN . 38.3 t -148.29 128.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 0.805 . . . . 0.0 109.366 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' SD ' ' A' ' 43' ' ' MET . 5.5 mt-10 -140.42 129.05 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 2.0 mmm -127.75 107.18 9.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -111.8 106.2 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.077 . . . . 0.0 110.05 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.736 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.52 -3.74 27.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -48.27 -23.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -148.26 -63.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.03 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 18.8 m-85 -152.38 140.05 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.883 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -150.24 147.88 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -128.47 107.76 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.818 HG21 HD21 ' A' ' 95' ' ' LEU . 2.9 t -104.53 114.92 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.216 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -91.07 153.32 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 111.045 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.052 ' CG1' HD11 ' A' ' 23' ' ' LEU . 2.7 m -153.34 122.8 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.628 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.91 133.61 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.416 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 5.0 m-85 -128.83 158.07 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' C ' ' SD ' ' A' ' 34' ' ' MET . 8.5 tp -90.62 11.45 22.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.871 ' HB3' HG23 ' A' ' 65' ' ' VAL . 3.2 m-20 -52.24 -27.7 15.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 102' ' ' SER . 0.6 OUTLIER -40.18 -41.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.63 -42.55 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.98 117.34 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 23.4 tt0 -67.41 -19.43 65.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -43.63 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.86 -19.44 44.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.871 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.79 -44.16 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.4 tmtm? -74.26 -53.47 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.56 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.97 -61.89 6.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.689 HD11 ' HB2' ' A' ' 99' ' ' TYR . 5.3 tt -55.45 -31.82 28.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 7.0 tttm -66.44 -33.22 75.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.04 -42.05 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.02 -24.73 65.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -79.08 -49.86 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -59.99 -30.11 68.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -89.02 13.63 12.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.469 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.6 m -54.57 -72.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.58 -19.85 3.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.428 1.08 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.18 -43.49 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.393 0.702 . . . . 0.0 110.931 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' CE2' ' A' ' 97' ' ' PHE . 17.6 pt -70.51 -39.43 76.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -67.77 -46.28 72.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.197 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.1 t -72.27 -33.61 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.767 HD22 ' HG2' ' A' ' 26' ' ' GLU . 3.7 tt -66.14 -34.22 77.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' MET . 30.7 mt -71.41 -53.28 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.196 . . . . 0.0 109.306 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.55 -46.49 37.55 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -42.09 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.97 -30.52 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttm -113.67 13.14 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 87' ' ' MET . 12.4 mtm180 23.06 79.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.5 tp -120.47 -158.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 8.8 mtt180 -141.89 -42.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.736 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.98 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 95.8 t 24.14 59.71 0.38 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.708 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.1 163.75 34.53 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.04 66.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.883 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -70.32 87.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 51' ' ' LYS . 1.5 t -72.56 172.92 9.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -130.53 111.56 12.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -104.71 119.93 40.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -97.24 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -108.93 92.29 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 8.8 p30 -98.04 -173.13 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 7.6 t -89.62 14.38 11.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 110.057 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -99.2 1.77 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -128.02 -3.51 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' O ' ' CE ' ' A' ' 107' ' ' MET . 5.1 mt-10 -142.63 -42.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.45 ' C ' ' OG ' ' A' ' 102' ' ' SER . . . 91.05 19.75 41.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -156.11 33.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -85.97 -32.34 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -50.42 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.78 -39.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' NE2' ' A' ' 13' ' ' GLN . . . -59.69 -42.89 93.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -64.9 -65.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -41.58 -38.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 110.325 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.968 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.8 mtt -77.65 -36.07 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.6 tm0? -66.88 -34.67 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.6 pttt -77.14 -39.85 47.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -67.33 -43.65 81.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.968 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -73.31 -40.8 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -58.9 -35.64 73.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.85 -62.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 26' ' ' GLU . 59.1 mt -58.71 -19.82 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 54' ' ' VAL . 8.7 tt -86.3 -17.09 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -112.21 -13.02 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -107.02 -64.13 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.6 -15.28 57.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -84.58 179.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.42 72.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.598 1.186 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.89 -54.5 0.3 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.84 18.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.06 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.6 -31.13 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.84 77.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 30.1 mtm -145.35 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.06 150.12 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' CD2' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -112.02 172.16 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -134.43 167.47 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 37' ' ' THR . 4.5 t -122.33 74.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.13 7.93 12.22 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.76 128.18 2.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.999 HG11 ' HG3' ' A' ' 16' ' ' GLN . 1.2 p -147.92 123.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.79 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -133.11 126.42 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.701 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -130.4 105.54 7.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.783 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.19 105.36 14.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.82 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.1 -2.33 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.616 1.198 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -15.24 26.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.66 -71.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.23 58.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.783 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.8 p90 -154.05 132.09 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.751 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.97 162.18 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.75 99.97 3.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.359 1.037 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.83 128.25 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -97.02 152.45 18.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -153.19 127.29 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.29 129.37 56.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 m-85 -121.81 166.28 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -99.54 13.24 34.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.87 ' HB3' HG23 ' A' ' 65' ' ' VAL . 2.0 m-20 -56.0 -21.04 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 3.7 t70 -47.67 -38.97 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.1 mtmt -40.02 -42.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.16 118.22 22.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' HG3' HD11 ' A' ' 103' ' ' LEU . 5.2 tt0 -67.17 -19.28 65.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -41.5 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.05 41.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.64 -42.76 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 4.7 ptmt -72.65 -55.11 7.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.332 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 66' ' ' LYS . . . -63.48 -53.33 53.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.21 5.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.859 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -52.81 -32.41 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -63.97 -35.23 80.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.71 -38.23 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 27' ' ' ILE . 11.3 tp -71.75 -22.63 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -78.17 -46.74 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -67.16 -31.08 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -87.48 12.94 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.8 m -56.65 -74.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.52 -18.76 3.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.93 -42.29 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 97' ' ' PHE . 16.6 pt -72.54 -38.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 95' ' ' LEU . 4.9 ttp180 -67.58 -45.68 74.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.621 ' CB ' HH21 ' A' ' 80' ' ' ARG . 3.1 t -73.67 -36.92 65.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' CD ' ' A' ' 26' ' ' GLU . 7.7 tt -62.69 -37.71 87.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -69.15 -62.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.96 -41.08 3.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -79.52 -38.09 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.84 70.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 8.8 mtt -116.61 16.07 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.1 mtt85 22.34 77.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.555 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.7 tp -116.6 -148.68 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.59 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -153.05 -43.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.48 -34.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 91' ' ' ILE . 40.9 t 23.42 60.44 0.36 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.92 155.95 43.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.17 64.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -69.96 90.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.5 t -68.02 162.24 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.4 105.98 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -95.87 120.44 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 111.047 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.859 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.44 91.11 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.933 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.416 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 4.8 t0 -94.06 86.77 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -91.68 -172.35 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -89.14 12.27 16.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.914 HD22 HG11 ' A' ' 65' ' ' VAL . 2.7 tp -94.37 4.0 54.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 104' ' ' VAL . 41.9 t -134.49 10.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 5.6 mt-10 -160.55 -39.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.01 -32.4 4.64 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -75.64 0.04 18.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' C ' ' OG ' ' A' ' 102' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 O-C-N 124.472 1.107 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.58 -34.44 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -52.35 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -38.86 81.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -59.74 -37.93 80.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 mm100 -70.56 -66.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -38.65 -41.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.949 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.8 -40.52 63.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.945 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.6 tm0? -62.05 -34.47 76.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -40.27 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.12 -43.12 83.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 15' ' ' MET . 4.0 pt -74.52 -39.43 47.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -57.73 -36.91 72.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -72.14 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 21.2 mt -58.65 -20.43 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 HG11 ' A' ' 54' ' ' VAL . 8.5 tt -88.14 -16.1 34.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.07 -5.33 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.223 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -116.28 -39.91 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.686 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -94.68 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.61 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.49 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.57 72.69 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.55 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -95.18 -54.75 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.62 1.2 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.07 -23.57 13.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' CD1' ' A' ' 32' ' ' LEU . 14.4 ttt180 -77.59 -42.0 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -87.41 10.74 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.82 55.53 1.09 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.641 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 14.4 mtm -150.82 177.47 10.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 0.715 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.15 83.93 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.582 1.176 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.634 HG22 ' CD2' ' A' ' 56' ' ' PHE . 45.1 p -53.02 156.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.594 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.9 m -133.4 162.43 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.26 79.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.67 23.73 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.01 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.28 133.59 2.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.606 1.191 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.945 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -150.83 132.83 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 20.5 mt-10 -139.66 126.92 21.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -131.95 106.66 8.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.749 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -111.37 107.45 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.865 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -99.83 -6.09 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.41 -19.7 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.06 -70.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.8 63.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.231 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.749 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 52.2 p90 -156.7 130.89 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.7 163.67 30.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.741 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -142.31 104.0 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -102.41 124.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.487 ' O ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -89.3 151.88 21.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.373 1.046 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.94 HG11 HD11 ' A' ' 23' ' ' LEU . 1.3 m -153.73 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.62 1.2 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.594 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.71 136.47 52.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.634 ' CD2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -130.67 159.45 37.19 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.83 16.78 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.861 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 1.1 t70 -40.24 -41.37 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 2.6 mtmt -39.9 -43.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.64 118.82 24.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.0 tt0 -67.32 -21.15 65.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -44.13 66.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.374 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.19 -19.35 47.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.861 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.18 -41.75 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.6 1.187 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 10.6 tttm -75.84 -50.18 15.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.76 61.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.34 -60.67 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.3 tt -55.85 -37.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.335 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 5.7 ttpp -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 56' ' ' PHE . 21.3 mt -72.78 -25.91 61.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -51.92 9.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -63.19 -31.93 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.242 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.0 15.74 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.2 t -55.25 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.59 -19.23 4.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.54 -43.29 49.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 0.777 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.0 pt -71.32 -39.78 72.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.864 ' HA ' HD11 ' A' ' 95' ' ' LEU . 33.0 ttp85 -66.61 -46.92 74.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.7 t -71.18 -38.91 72.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.7 tt -60.47 -37.33 80.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.227 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 79' ' ' ILE . 6.6 mp -68.45 -59.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.68 -41.3 5.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -78.67 -39.85 35.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 0.708 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.94 -30.98 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.9 mtm -113.52 15.41 19.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.0 mtm180 22.2 83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.669 HD23 ' CG1' ' A' ' 91' ' ' ILE . 5.7 tp -126.58 -148.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -155.19 -41.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.865 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.78 -34.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.602 ' C ' ' O ' ' A' ' 91' ' ' ILE . 94.3 t 23.59 60.21 0.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.67 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.95 157.56 42.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.9 65.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -69.16 91.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.7 t -68.03 161.56 26.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.6 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.49 104.65 11.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.989 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.453 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -93.15 119.83 32.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.6 93.01 5.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 5.4 t0 -98.43 87.89 3.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.411 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -95.31 -173.05 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -87.23 16.2 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.945 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -98.8 2.2 46.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.59 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.3 t -135.11 6.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.568 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 0.5 OUTLIER -154.29 -40.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.18 -20.78 31.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.568 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.0 mtm -103.05 17.02 25.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 6.1 mmt180 . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.355 1.035 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.551 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -85.44 -26.12 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -70.98 -49.72 42.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.232 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -61.71 -41.41 97.58 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -69.12 -63.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -45.18 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.967 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -72.73 -38.91 67.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.906 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.64 -33.29 74.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -76.28 -42.66 44.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.22 -41.99 89.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -73.97 -44.21 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -53.57 -38.17 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.13 -56.8 5.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 69.6 mt -58.31 -22.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.776 HD21 ' CE1' ' A' ' 97' ' ' PHE . 7.1 tp -87.67 -16.09 35.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 1.8 mt-30 -110.08 -7.85 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.86 -56.84 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.4 -11.25 60.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.95 179.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.676 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.25 69.59 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.84 -50.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -75.03 -1.35 11.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.668 ' HD3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.52 -34.92 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 31' ' ' ARG . 4.3 mp -77.56 -20.39 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.26 55.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -126.01 165.38 18.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.71 80.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.5 p -45.42 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.605 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.6 m -148.33 163.72 36.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.16 80.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 33.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.14 135.51 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.362 1.039 . . . . 0.0 110.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -155.06 132.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.759 . . . . 0.0 109.36 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.2 mm-40 -139.27 127.34 22.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.2 107.8 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.725 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -108.38 107.83 18.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.48 -3.28 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -16.63 29.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -143.92 -72.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.05 62.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.725 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 49.9 p90 -158.86 137.55 11.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.128 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.884 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.75 162.66 34.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.55 108.02 4.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.681 HG22 HG23 ' A' ' 41' ' ' VAL . 3.7 t -105.13 150.06 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -111.97 144.04 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.155 HG21 ' CE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -143.66 118.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.605 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -110.12 129.55 55.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.916 ' CE2' HD13 ' A' ' 72' ' ' LEU . 6.5 m-85 -119.74 169.32 10.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.12 21.1 17.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.837 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.07 -28.55 69.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 13.8 t70 -38.62 -42.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -38.75 -42.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 117.24 21.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.1 tt0 -66.85 -19.3 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -42.49 57.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.51 -20.53 43.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.58 -42.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 69' ' ' ILE . 1.9 tttm -72.94 -56.49 5.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -53.44 54.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' ALA . . . -49.86 -61.41 5.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 5.8 tt -53.48 -30.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -68.34 -34.38 76.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.34 -45.06 23.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.25 -19.77 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 41.2 mt-30 -80.05 -51.88 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -84.56 5.1 29.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 79' ' ' ILE . 26.2 m -52.45 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.04 -20.4 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -74.72 -44.06 51.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.903 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -70.98 -37.65 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.6 -46.09 70.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 m -73.63 -35.32 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 26' ' ' GLU . 5.6 tt -65.25 -34.37 78.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 79' ' ' ILE . 7.5 mp -69.94 -62.03 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.29 -47.46 6.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.56 -41.49 65.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.19 -33.75 72.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.7 ptp -110.74 12.29 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.584 ' C ' ' O ' ' A' ' 87' ' ' MET . 10.4 mtm180 23.45 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tp -125.87 -153.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.728 ' HE ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -145.24 -44.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.728 HG23 ' HE ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -37.58 -37.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 47.4 t 24.25 60.03 0.39 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD3' HD12 ' A' ' 91' ' ' ILE . 18.1 Cg_endo -74.99 155.13 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.76 66.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.214 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.884 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.33 89.3 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 51' ' ' LYS . 3.8 t -67.7 166.24 15.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 1.155 ' CE2' HG21 ' A' ' 54' ' ' VAL . 1.7 t80 -122.71 113.03 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -98.88 112.22 24.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -86.77 104.63 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.45 86.11 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -94.62 -173.18 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.03 15.82 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -102.29 5.48 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -132.67 5.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 42.3 mt-10 -155.93 -37.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.04 -3.57 87.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.597 1.185 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.552 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 mtm -124.75 25.31 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.506 ' CD ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.901 -0.461 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 tp60 -77.73 -39.39 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.19 -52.08 67.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -39.65 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.78 89.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -70.84 -65.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.228 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -38.62 -44.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 0.0 110.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 1.005 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.01 -39.99 65.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.683 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -61.69 -33.2 73.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -41.13 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -67.47 -37.52 83.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.005 HG23 ' O ' ' A' ' 15' ' ' MET . 4.9 pt -75.86 -44.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' GLN . . . -57.05 -34.5 68.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.09 -57.61 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 57.5 mt -57.49 -24.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 11.8 tp -87.12 -14.59 40.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -109.96 -7.66 14.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -114.86 -50.52 2.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -76.81 -11.53 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.3 178.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.65 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -104.08 72.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.17 -52.88 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.0 0.75 8.53 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 8.2 ttt180 -90.16 -31.59 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.86 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.6 mp -81.84 -24.44 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.77 21.27 40.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mpp? -143.08 152.39 41.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 0.763 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpp -91.61 117.74 30.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -80.46 158.01 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -133.07 168.39 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' CG2' ' A' ' 37' ' ' THR . 49.0 t -132.67 91.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.36 18.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.36 131.34 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.5 p -143.14 127.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.46 122.68 28.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.616 ' CE ' HD13 ' A' ' 19' ' ' ILE . 2.7 mmm -129.93 104.43 7.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -109.95 105.08 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -103.17 -4.97 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -52.59 -20.82 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.183 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -147.68 -70.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.54 62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.6 m-85 -147.84 144.26 28.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.786 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -158.21 163.35 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HB3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -150.19 109.08 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 95' ' ' LEU . 4.2 p -104.73 131.06 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -101.54 144.12 30.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -144.46 122.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.563 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.91 130.86 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -123.63 163.7 20.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.25 16.19 17.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.862 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -58.04 -30.86 66.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -38.89 -42.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.7 mtmt -39.05 -42.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.48 117.25 21.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 65' ' ' VAL . 43.7 tt0 -66.89 -20.1 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -42.91 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.5 -20.12 44.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.73 -42.47 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.69 -52.92 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.71 -53.11 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.79 -61.46 6.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 99' ' ' TYR . 5.1 tt -56.39 -29.41 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 25.8 mttt -67.55 -33.4 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.16 -41.2 29.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -70.27 -23.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.16 -52.0 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.42 -29.69 70.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.883 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -93.53 12.55 24.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 79' ' ' ILE . 12.7 m -56.27 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.34 -24.86 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.41 -43.99 68.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 110.943 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -66.42 -39.67 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.666 HH21 ' HA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -62.57 -43.22 99.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -76.06 -30.97 58.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -61.32 -45.31 94.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.715 HD23 HG22 ' A' ' 19' ' ' ILE . 9.4 mp -69.76 -48.44 59.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.936 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -52.09 -44.81 57.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.607 1.192 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -77.6 -42.3 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.5 -31.08 70.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.581 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.5 ttm -119.0 20.14 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.581 ' C ' ' O ' ' A' ' 87' ' ' MET . 27.7 mtp180 23.22 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.936 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -125.28 167.69 14.54 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' ILE . 3.8 ptt-85 -116.69 -40.66 3.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.958 HD13 ' CD ' ' A' ' 45' ' ' ARG . 1.6 pt -39.15 -32.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 92' ' ' VAL . 75.1 t 23.68 59.4 0.35 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.896 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.7 Cg_endo -74.89 153.22 42.2 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.591 1.837 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.666 ' HA ' HH21 ' A' ' 80' ' ' ARG . 5.0 tt0 -67.31 69.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.786 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -71.0 89.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' HB3' ' A' ' 51' ' ' LYS . 1.3 t -67.18 165.9 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -118.87 112.87 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -106.16 115.46 30.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.581 ' CG ' HD11 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -93.53 110.32 21.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -112.56 88.11 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -98.76 -173.58 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.22 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 102' ' ' SER . 1.2 t -89.6 15.4 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.69 HD22 HG11 ' A' ' 65' ' ' VAL . 1.3 tp -99.88 3.1 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.7 t -130.27 -0.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 9.4 mt-10 -147.51 -41.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.49 9.41 72.39 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.4 OUTLIER -135.83 14.36 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.501 ' CD ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -39.99 42.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.49 87.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' MET . 30.7 t -74.89 -34.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.404 1.065 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' GLN . 19.7 mm-40 -66.82 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.97 -42.03 1.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.907 ' O ' HG23 ' A' ' 19' ' ' ILE . 13.5 mtp -75.58 -36.79 60.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.643 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tt0 -64.06 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -77.15 -42.92 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.8 -41.28 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.907 HG23 ' O ' ' A' ' 15' ' ' MET . 5.4 pt -73.37 -49.27 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -52.59 -36.27 55.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -69.43 -60.67 2.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 83' ' ' LEU . 44.4 mt -57.64 -21.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 13.7 tp -87.35 -17.17 33.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 6.4 mt-30 -111.65 -6.72 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.55 -57.65 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.632 1.208 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.815 ' OE2' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.54 -18.24 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.971 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.2 178.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.638 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.19 72.37 1.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.26 -49.87 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -74.91 -14.73 21.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.558 1.82 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -80.32 -42.62 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.168 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 28' ' ' LYS . 8.5 mt -71.23 -24.1 62.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 85.66 28.95 28.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.8 mpp? -145.35 172.22 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 ttm -115.96 105.15 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.667 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.2 p -72.37 158.1 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.0 m -135.07 161.97 33.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.63 88.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 22.77 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -174.11 138.63 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -149.84 124.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -139.07 136.7 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.474 ' CE ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.18 106.26 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -103.97 106.93 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.892 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' CG ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.58 -8.07 23.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.205 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.655 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.28 -23.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.228 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -144.03 -72.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.64 60.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 4.0 m-85 -147.53 130.86 16.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -136.15 159.8 40.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.402 1.064 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -141.81 115.62 9.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -114.17 119.63 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' C ' HG22 ' A' ' 54' ' ' VAL . 28.7 t80 -85.28 153.9 22.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.628 1.205 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -158.01 130.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.11 130.57 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.372 1.045 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.1 m-85 -120.86 159.8 24.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 111.065 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.43 28.25 7.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.86 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -68.14 -24.96 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 2.7 t70 -43.0 -39.29 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.38 -43.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.6 118.62 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.6 tt0 -67.01 -19.59 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -41.73 60.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.29 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -77.16 -41.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -50.37 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.41 -50.48 59.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.98 -61.28 7.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.834 HD11 ' HD2' ' A' ' 99' ' ' TYR . 1.5 tt -53.26 -38.37 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -33.86 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.6 -41.36 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.971 HD11 HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -66.68 -20.44 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -49.79 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -61.0 -28.0 68.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -95.9 16.08 18.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 28.5 p -55.17 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.27 -20.15 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -73.46 -46.76 46.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 111.001 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.566 HG22 ' OE1' ' A' ' 26' ' ' GLU . 14.4 pt -66.27 -39.98 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 83' ' ' LEU . 18.5 ttp180 -62.5 -45.08 94.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -27.36 61.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.815 HD23 ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.9 -43.21 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -67.68 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.383 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.749 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -43.3 -44.26 6.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -76.16 -38.96 56.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' CB ' HD13 ' A' ' 22' ' ' ILE . . . -59.71 -32.07 70.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.212 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.576 ' O ' ' C ' ' A' ' 88' ' ' ARG . 10.6 ptp -121.95 21.62 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' C ' ' O ' ' A' ' 87' ' ' MET . 0.2 OUTLIER 22.85 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.749 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -118.23 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -119.94 -43.18 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.6 pt -40.75 -29.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' ARG . 59.2 t 24.64 59.31 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.992 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -75.06 158.26 42.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.52 61.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.815 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -68.99 87.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 51' ' ' LYS . 5.0 t -71.96 165.09 24.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.841 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 15.5 p90 -123.69 109.56 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.66 113.54 25.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.841 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.94 94.35 6.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -100.98 93.85 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.369 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.426 ' ND2' ' CD2' ' A' ' 56' ' ' PHE . 6.1 m120 -89.79 -171.16 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -90.77 16.39 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.85 6.21 45.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 104' ' ' VAL . 9.6 t -131.58 3.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 63.6 mt-10 -155.26 -37.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.6 -9.14 78.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -149.77 25.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.964 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 2.3 tp60 -82.16 -40.4 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -56.12 -61.04 2.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.453 1.095 . . . . 0.0 110.349 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -41.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.26 74.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 2.5 mm100 -66.87 -68.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 1.9 mm-40 -41.03 -39.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.972 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.03 -38.25 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.611 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -64.64 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.9 ptmt -75.69 -37.91 59.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.6 tp10 -69.21 -41.8 76.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 15' ' ' MET . 3.2 pt -75.8 -39.35 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.89 -35.61 77.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.06 -58.64 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 26' ' ' GLU . 20.0 mt -58.92 -20.8 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.761 HD11 HG11 ' A' ' 54' ' ' VAL . 6.6 tt -86.62 -18.26 31.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -110.86 -7.61 14.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -111.37 -61.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.91 -14.37 61.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.044 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.71 -179.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.817 ' HE3' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.25 73.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.98 -50.38 0.64 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.01 -16.4 20.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 2.6 ttt180 -77.22 -25.91 52.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.664 HD22 HD22 ' A' ' 58' ' ' ASN . 52.6 mt -87.66 -22.29 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.374 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.31 60.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.433 1.083 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 14.9 mtm -142.55 165.5 27.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 0.781 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -103.88 121.25 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 56' ' ' PHE . 62.6 p -84.95 164.8 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -141.56 168.0 20.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 53' ' ' TYR . 46.3 t -127.21 89.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 30.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.893 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.85 143.83 5.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 52' ' ' VAL . 11.0 p -152.2 138.7 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' LYS . 10.6 mt-10 -144.93 134.78 23.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -140.56 109.03 5.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.788 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -110.52 107.38 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.619 ' HG2' HG21 ' A' ' 91' ' ' ILE . 3.6 mtp180 -100.48 -1.4 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -16.37 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.211 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.729 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.3 tp -144.81 -71.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.3 57.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.788 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.5 p90 -151.81 135.55 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.86 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -143.21 120.75 11.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.66 136.1 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.62 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.35 146.56 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.761 HG11 HD11 ' A' ' 23' ' ' LEU . 22.9 m -146.67 119.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -106.97 124.24 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.5 m-85 -114.67 161.85 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' SD ' ' A' ' 34' ' ' MET . 9.7 tp -95.9 16.3 18.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.873 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.8 m-20 -60.38 -32.31 71.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.7 OUTLIER -40.72 -34.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 1.052 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -43.08 -46.31 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.9 122.92 33.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 103' ' ' LEU . 3.8 tt0 -67.5 -23.22 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.78 71.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.21 -18.83 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.873 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.96 -43.19 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -48.35 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.7 -52.12 53.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.58 -61.1 7.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 99' ' ' TYR . 3.6 tt -53.14 -34.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.23 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.23 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.044 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.91 -21.73 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -45.74 18.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -27.71 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . . . -95.23 17.97 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 11.2 t -58.18 -74.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.24 2.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -46.04 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.704 HG22 ' OE2' ' A' ' 26' ' ' GLU . 13.5 pt -67.83 -39.63 82.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.06 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.531 ' HA ' HD12 ' A' ' 83' ' ' LEU . 10.7 ttp180 -63.37 -44.91 93.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -71.18 -36.54 72.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 1.185 . . . . 0.0 109.979 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -58.83 -41.94 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.381 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 80' ' ' ARG . 2.1 mt -67.09 -65.62 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -40.44 -51.01 3.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -39.65 79.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.72 -31.09 69.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -113.37 12.56 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 16.7 mtt180 22.36 74.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.112 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.84 HD23 ' CG1' ' A' ' 91' ' ' ILE . 1.4 tp -112.64 -153.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 92' ' ' VAL . 1.4 ptm180 -142.91 -46.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.84 ' CG1' HD23 ' A' ' 89' ' ' LEU . 1.1 pt -39.92 -33.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 90' ' ' ARG . 28.9 t 23.4 61.73 0.37 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.06 157.85 42.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.99 59.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -69.83 90.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.384 1.053 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 t -82.97 166.23 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.994 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.5 p90 -125.37 110.73 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.62 114.35 25.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.603 1.189 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.757 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -86.34 108.83 18.61 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -114.02 97.19 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -100.87 -178.67 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.511 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.84 7.81 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.913 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 65' ' ' VAL . 1.6 tp -91.51 2.53 56.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.601 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -137.73 7.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.358 1.036 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.564 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 8.5 mt-10 -152.22 -37.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.51 48.53 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.433 1.083 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.564 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.6 ptp -112.54 18.74 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 0.707 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 11.5 mmt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.955 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.88 -41.8 35.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -53.63 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -61.35 -40.42 86.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.99 87.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.9 mm100 -70.34 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -38.09 -44.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.976 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.59 -40.8 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.1 tt0 -61.79 -32.96 73.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -41.56 55.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.228 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.9 -39.18 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.976 HG23 ' O ' ' A' ' 15' ' ' MET . 2.7 pt -76.8 -39.12 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.44 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.03 -60.06 2.46 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 26' ' ' GLU . 18.7 mt -59.2 -20.24 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.626 1.204 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.083 HD11 ' CG1' ' A' ' 54' ' ' VAL . 9.5 tt -85.21 -16.57 39.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -112.66 -13.91 13.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.42 -65.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.677 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -61.09 -18.29 57.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.702 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.85 -178.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.702 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.85 70.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.211 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.09 -50.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.01 1.63 7.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.434 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.8 ttt180 -93.66 -52.45 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.763 HD22 HD22 ' A' ' 58' ' ' ASN . 10.8 mt -66.62 -22.51 66.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.07 31.59 19.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.429 ' O ' ' OD2' ' A' ' 29' ' ' ASP . 3.9 mpp? -144.85 178.36 8.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.0 106.17 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.623 HG22 ' CD2' ' A' ' 56' ' ' PHE . 64.6 p -69.25 155.0 41.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.627 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -129.7 159.58 36.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.3 p -117.72 79.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.76 33.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.644 1.215 . . . . 0.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CB ' ' A' ' 53' ' ' TYR . . . 179.82 134.63 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.705 HG11 ' HG3' ' A' ' 16' ' ' GLN . 2.5 p -149.51 123.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 0.719 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.15 127.47 32.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -132.0 106.52 8.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.642 1.214 . . . . 0.0 111.047 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.666 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -114.99 109.2 17.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.378 1.049 . . . . 0.0 110.005 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HG2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.99 4.75 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -49.22 -32.45 10.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.731 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -142.01 -61.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.54 74.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.731 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -163.83 132.72 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.947 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.59 165.3 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.655 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.61 106.69 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.27 132.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.518 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 43.0 t80 -95.2 151.11 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.083 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -154.07 123.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.627 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -114.98 132.45 56.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.623 ' CD2' HG22 ' A' ' 36' ' ' THR . 1.4 m-85 -126.7 170.54 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.0 10.94 26.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.84 ' HB3' HG23 ' A' ' 65' ' ' VAL . 3.8 m-20 -49.59 -26.46 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' LYS . 14.2 t70 -39.86 -41.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' ASP . 18.0 mtpt -39.52 -42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.39 116.49 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 103' ' ' LEU . 1.7 tt0 -66.88 -19.15 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.36 -43.57 60.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.4 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.84 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.37 -43.63 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.215 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -74.9 -50.4 17.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.5 -61.11 7.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.407 1.067 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.5 tt -54.21 -33.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -67.25 -34.01 76.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.58 58.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.209 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.923 HD11 ' CE2' ' A' ' 97' ' ' PHE . 64.5 tp -75.91 -25.29 55.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -76.8 -44.58 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.92 -30.3 63.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -85.28 9.88 14.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' HD13 ' A' ' 79' ' ' ILE . 23.0 m -53.61 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.4 -22.61 0.64 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.78 -47.13 64.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 0.817 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.74 -34.5 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.701 ' HA ' HD11 ' A' ' 95' ' ' LEU . 43.6 ttp85 -65.93 -42.38 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -76.92 -33.24 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -62.26 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 79' ' ' ILE . 2.5 mt -71.17 -56.45 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.919 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -48.06 -44.46 25.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -76.48 -40.58 49.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -61.45 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.1 mtm -121.18 21.49 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 87' ' ' MET . 30.6 mtp180 22.71 85.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.919 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -121.35 -179.52 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.205 . . . . 0.0 109.262 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.4 ptt-85 -129.63 -40.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.854 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.5 pt -40.1 -31.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 49.5 t 23.61 60.82 0.37 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.854 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.5 Cg_endo -74.98 155.9 43.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.598 1.841 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.73 64.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.7 pp -68.81 91.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 51' ' ' LYS . 15.1 t -66.43 171.86 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.923 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -127.23 109.88 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -92.18 112.27 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.4 95.17 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -103.89 88.51 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.71 -170.05 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.3 15.28 7.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD11 ' HG3' ' A' ' 62' ' ' GLU . 3.6 tp -95.87 4.89 52.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.357 1.035 . . . . 0.0 109.226 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.596 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -136.02 6.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.6 1.187 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.52 ' HB2' ' HE2' ' A' ' 107' ' ' MET . 2.0 mt-10 -155.01 -36.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.16 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' ' HB2' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -137.91 27.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 107' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mp0 -85.78 -31.92 22.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -57.58 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.1 t -69.14 -41.77 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 9' ' ' GLN . . . -50.56 -39.15 48.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 mm-40 -73.69 -64.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -42.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.964 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.92 -38.31 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.728 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.6 -35.43 79.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.0 ptmt -76.2 -39.04 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -68.13 -44.42 76.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.964 HG23 ' O ' ' A' ' 15' ' ' MET . 3.7 pt -72.41 -45.09 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -55.2 -38.32 68.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -67.28 -60.3 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.603 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 92.6 mt -58.4 -21.56 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.774 ' CD1' HD12 ' A' ' 79' ' ' ILE . 18.9 tp -88.09 -16.46 33.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -110.86 -7.67 14.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.644 1.215 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.7 -54.67 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.85 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.61 -3.25 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -99.51 -179.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -99.66 70.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -86.12 -49.67 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.3 17.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -85.77 -42.41 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 34' ' ' MET . 62.8 mt -70.77 -26.15 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 89.39 25.33 28.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 33' ' ' GLY . 3.8 mpp? -142.65 161.58 37.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.99 86.58 2.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' CD1' ' A' ' 56' ' ' PHE . 23.4 p -46.33 167.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -141.89 162.79 34.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 38' ' ' VAL . 13.3 p -128.04 80.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.33 29.81 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.98 133.8 2.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.728 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.6 p -149.66 134.14 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mt-10 -135.29 126.55 28.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 19' ' ' ILE . 3.0 mmm -132.22 106.6 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.752 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -113.73 106.53 14.6 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.448 1.093 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.92 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.9 -4.39 26.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -57.82 -17.19 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -143.42 -72.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.91 62.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.752 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -157.64 136.8 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.75 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.3 103.17 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.7 p -99.24 134.67 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -100.83 140.98 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 97' ' ' PHE . 4.6 m -142.91 120.17 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.85 135.01 50.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.1 m-85 -126.77 166.26 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tp -103.6 17.92 23.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -58.74 -26.96 64.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . 1.1 t70 -39.25 -40.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.6 mtmt -39.87 -42.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -128.0 117.38 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 103' ' ' LEU . 17.9 tt0 -66.67 -19.48 65.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -42.68 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.55 44.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.38 1.05 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -76.07 -43.86 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -49.86 23.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.64 53.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.33 -61.01 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.403 1.064 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.1 tt -54.33 -35.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -63.71 -34.44 77.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.93 -38.66 61.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -73.4 -19.88 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.41 -45.71 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.627 1.204 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.76 -29.74 66.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -89.5 3.78 51.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -55.17 -69.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.32 -20.85 5.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -41.81 58.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -70.5 -39.24 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.572 ' HA ' HD11 ' A' ' 95' ' ' LEU . 23.6 ttp85 -65.29 -46.2 81.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -72.58 -35.27 67.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' A' ' 26' ' ' GLU . 4.4 tt -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.53 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.24 -43.81 7.49 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -75.97 -39.78 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 109.371 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.87 70.58 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.588 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -113.6 14.33 18.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.4 mtm-85 22.45 73.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.647 1.217 . . . . 0.0 110.27 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -154.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 9.3 ptm180 -143.25 -43.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.92 HG21 ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.23 -38.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.0 t 22.91 59.97 0.33 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.77 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.89 153.38 42.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -66.68 69.69 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.73 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -70.67 94.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 51' ' ' LYS . 12.2 t -66.65 160.65 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE1' HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -110.99 102.65 11.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -93.41 111.14 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -97.35 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -112.68 86.72 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.232 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -170.0 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.17 9.8 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.016 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -93.31 1.55 56.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.0 OUTLIER -133.66 4.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.505 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 10.2 mt-10 -148.77 -40.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.28 54.22 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.505 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -121.54 32.52 5.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.777 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' NE ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 O-C-N 124.402 1.064 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -37.47 48.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.364 1.04 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -62.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' MET . 2.2 t -55.76 -43.4 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.07 -34.6 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.7 mm100 -76.71 -71.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -31.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.894 ' O ' HG23 ' A' ' 19' ' ' ILE . 53.4 mtp -80.77 -44.48 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.4 tm0? -63.22 -37.53 87.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.186 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.9 ptmt -78.12 -37.81 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.2 tp10 -66.73 -53.55 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 41' ' ' VAL . 2.3 pt -64.28 -42.26 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.648 1.217 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -56.92 -37.98 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -65.23 -58.58 5.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.7 mt -59.29 -22.97 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.611 ' CD2' HG11 ' A' ' 54' ' ' VAL . 13.5 tp -86.53 -16.58 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -111.14 -7.21 14.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -113.85 -56.08 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.32 -17.57 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.39 177.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.672 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.06 70.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.33 -50.88 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.06 -31.92 5.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -21.66 64.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' ' 28' ' ' LYS . 1.3 mp -78.56 -26.34 45.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.71 11.62 49.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.46 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mtt -128.56 -165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.412 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -136.16 78.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.913 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 p -43.05 155.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.525 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -137.63 161.3 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.369 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 5.8 p -121.81 73.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 t -43.38 -48.96 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -155.26 171.73 33.45 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 19' ' ' ILE . 61.4 t -153.38 129.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.342 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.53 110.78 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.323 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.5 104.58 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.87 106.84 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.075 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.548 ' NE ' HD13 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -97.91 0.72 47.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.04 -23.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -144.56 -61.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 164.58 80.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 37.3 m-85 -158.87 135.71 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -146.35 95.9 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.5 33.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.779 HG12 ' O ' ' A' ' 96' ' ' THR . 5.3 p -114.42 123.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -80.28 137.06 36.55 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.392 1.057 . . . . 0.0 110.927 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.611 HG11 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -141.85 117.48 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.525 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.33 128.07 53.29 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.913 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.0 m-85 -117.81 161.25 20.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' SD ' ' A' ' 34' ' ' MET . 11.1 tp -95.91 19.96 10.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.896 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.2 m-20 -59.68 -33.24 71.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -40.53 -34.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.3 -49.06 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.72 126.26 41.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 29.7 tt0 -67.58 -24.67 65.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -42.61 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.03 -19.22 48.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.61 -42.94 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.397 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -51.0 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.49 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.09 7.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -53.62 -32.09 20.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.41 -33.41 75.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.14 -43.89 23.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -67.34 -21.8 65.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -80.89 -52.92 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.1 pp20? -57.56 -31.71 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -88.59 14.08 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 5.6 t -56.78 -74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.7 -20.03 3.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.408 1.068 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.58 -43.92 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 97' ' ' PHE . 18.4 pt -71.74 -40.7 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.6 -47.8 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.8 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.812 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.6 tt -64.87 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.908 HD13 HD23 ' A' ' 95' ' ' LEU . 3.6 mt -69.13 -57.76 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -46.34 -49.86 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -70.92 -40.85 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.27 -32.66 70.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -112.07 11.91 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 6.3 mtt180 23.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.746 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.8 tp -118.41 -151.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.8 ptt-85 -149.38 -42.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -39.76 -28.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 67.8 t 26.9 57.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.88 61.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.93 87.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.779 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -107.78 173.79 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 3.0 p90 -138.17 124.09 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.33 120.2 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -82.55 101.19 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -108.79 90.59 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -172.39 2.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.51 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -91.43 14.05 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.07 -2.21 32.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.8 t -129.8 -2.8 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.0 mt-10 -139.68 -38.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.48 19.04 64.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.1 ptp -155.57 29.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' NE ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.23 -42.44 37.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -55.51 -58.79 6.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -53.38 -40.69 41.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -61.55 -39.33 90.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 16' ' ' GLN . 2.2 mm100 -68.45 -64.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.24 -43.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.74 -37.1 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.663 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.7 ptmt -76.12 -38.74 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 tp10 -68.73 -36.28 78.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -80.27 -40.02 19.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.217 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -62.37 -33.43 74.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.57 -57.44 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 89.2 mt -58.47 -24.49 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.715 HD11 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -87.44 -17.75 31.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 12.7 mt-30 -107.84 -5.47 17.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.5 tmt_? -115.42 -57.34 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.748 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.13 -19.7 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.11 178.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -97.08 74.19 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.86 -52.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.95 -20.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -72.69 -29.91 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 28' ' ' LYS . 6.6 mp -109.47 25.47 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 36.94 32.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 15.7 mtm -128.84 146.95 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -107.95 74.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.802 HG22 ' CD1' ' A' ' 56' ' ' PHE . 50.3 p -36.0 148.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -128.62 158.36 38.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.42 87.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 17.65 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.082 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.72 136.19 3.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.6 p -145.83 123.7 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' SD ' ' A' ' 43' ' ' MET . 2.0 mt-10 -138.85 123.26 18.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 1.5 mmm -122.44 105.28 10.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' TYR . 19.2 m -103.83 106.02 16.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -99.88 -1.55 37.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.594 1.184 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -23.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.198 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.2 mt -144.61 -61.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 162.34 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 47.7 m-85 -163.52 136.66 5.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CB ' ' A' ' 95' ' ' LEU . . . -136.58 95.24 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 112.1 20.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -116.52 134.67 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.445 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -90.24 149.75 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.715 HG11 HD11 ' A' ' 23' ' ' LEU . 9.8 m -153.4 120.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -113.23 133.3 55.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.802 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.9 m-85 -121.58 167.92 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 34' ' ' MET . 7.1 tp -103.08 17.52 23.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.902 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.21 -32.17 70.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 mtpp -38.63 -44.0 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.03 119.88 26.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.5 tt0 -66.31 -22.53 66.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -43.98 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.09 -19.75 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.12 -42.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -51.14 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.98 -52.8 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.53 -62.04 6.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -52.17 -35.52 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.94 -35.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.3 43.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.18 -19.63 64.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -84.29 -51.72 6.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 110.391 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.77 -33.59 68.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.42 13.4 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 44.0 p -56.57 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.04 -20.32 3.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.57 -43.49 55.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.748 HG22 ' CD ' ' A' ' 26' ' ' GLU . 16.4 pt -71.46 -38.48 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -67.49 -48.14 67.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m -70.18 -37.97 75.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 109.939 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 1.1 tt -62.74 -34.19 76.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 79' ' ' ILE . 6.6 mt -68.31 -59.0 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.26 -50.83 9.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -40.89 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.92 -31.58 69.96 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.48 1.113 . . . . 0.0 109.194 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.563 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -111.45 12.68 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 87' ' ' MET . 53.9 mtp180 22.62 75.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 89' ' ' LEU . 4.5 tp -112.43 -150.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.794 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.0 ptt180 -151.31 -44.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.0 HD12 ' HG3' ' A' ' 93' ' ' PRO . 2.2 pt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 90' ' ' ARG . 22.0 t 24.95 59.93 0.42 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 1.0 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 159.1 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.23 63.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.919 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -66.4 90.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.497 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -88.27 159.06 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.534 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.1 p90 -124.92 114.0 18.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.53 114.64 26.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.84 101.91 13.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.28 87.78 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -88.98 -172.14 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -89.63 13.96 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 110.014 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.712 HD22 HG11 ' A' ' 65' ' ' VAL . 2.0 tp -96.21 3.27 53.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 104' ' ' VAL . 6.7 t -136.57 10.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.714 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 1.8 mp0 -158.12 -38.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.04 -16.85 40.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.714 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -113.13 24.68 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -38.74 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -57.39 12.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.06 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.26 76.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.7 mm100 -72.04 -65.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.1 -42.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.67 -39.1 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.665 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -63.75 -33.7 76.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.24 52.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.21 -45.54 73.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 110.237 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.9 pt -69.57 -47.27 72.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.46 -34.9 67.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.97 -59.28 3.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.9 mt -59.06 -24.16 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.8 tp -86.5 -15.99 38.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -110.59 -9.48 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.1 mpt_? -111.29 -59.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.883 ' OE2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.5 -11.67 58.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -89.91 179.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.39 72.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.572 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.11 -55.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.01 -8.82 20.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -84.2 -44.04 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.9 mp -73.36 -23.62 60.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 14.85 46.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -133.04 147.71 52.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 105.01 16.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 56' ' ' PHE . 75.6 p -63.85 151.26 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.569 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.68 86.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.214 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 28.68 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.5 137.39 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.665 HG11 ' HG3' ' A' ' 16' ' ' GLN . 11.6 p -150.46 133.28 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.443 0.731 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.05 121.08 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.662 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -122.2 104.88 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.8 m -109.88 106.07 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 91' ' ' ILE . 1.9 mpp_? -101.84 -6.17 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.45 -23.39 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -144.28 -71.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 171.14 73.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 27.1 m-85 -153.05 140.22 19.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -152.56 113.94 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 119.24 38.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.82 129.97 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.87 151.05 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -150.94 117.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.569 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -107.24 126.2 52.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.45 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.659 ' CD2' HG22 ' A' ' 36' ' ' THR . 3.8 m-85 -116.49 165.62 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.37 26.7 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.891 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -70.39 -31.08 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' LYS . 1.5 t70 -38.58 -43.3 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ASP . 1.8 mtmt -37.86 -42.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.93 116.9 20.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 103' ' ' LEU . 23.3 tt0 -66.95 -19.73 65.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -43.71 62.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -19.43 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.891 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.68 -43.67 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.72 -52.46 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -52.65 61.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.35 -61.65 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 99' ' ' TYR . 8.4 tt -55.86 -29.78 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -68.4 -32.35 72.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 74' ' ' GLU . . . -82.42 -45.94 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HG ' ' CE2' ' A' ' 97' ' ' PHE . 23.9 tp -54.89 -36.06 64.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.218 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 19.1 pt20 -77.03 -47.87 19.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 1.3 pt-20 -54.33 -20.95 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.27 17.2 21.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 48.0 t -55.48 -71.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.2 -21.02 0.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.0 -44.41 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.71 HG22 ' OE1' ' A' ' 26' ' ' GLU . 15.4 pt -70.36 -40.54 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp-105 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.213 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -71.04 -32.82 69.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.411 1.069 . . . . 0.0 110.01 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.883 HD13 ' OE2' ' A' ' 26' ' ' GLU . 2.5 tt -66.63 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 12.3 mt -69.56 -56.64 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -47.55 -50.3 19.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -69.75 -41.78 74.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.61 -30.92 70.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 88' ' ' ARG . 3.8 ttm -110.71 11.96 22.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.9 mtm180 23.53 76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.885 HD22 HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -123.74 -177.54 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -121.36 -40.61 2.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.525 1.14 . . . . 0.0 110.255 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.885 HG12 HD22 ' A' ' 89' ' ' LEU . 1.1 pt -38.36 -33.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 90' ' ' ARG . 37.1 t 24.93 58.3 0.39 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.739 ' CG ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.99 170.3 20.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -68.05 62.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -68.16 87.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.15 171.0 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 23.2 p90 -132.96 117.55 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.58 118.39 30.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -87.38 109.94 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 105' ' ' GLU . 1.1 t70 -115.81 86.5 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -93.32 -172.54 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.86 11.94 21.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 65' ' ' VAL . 1.1 tp -97.33 -1.36 44.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -131.27 -1.12 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.535 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 2.8 mt-10 -141.08 -39.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.58 -9.43 64.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.535 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -123.41 26.43 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 105' ' ' GLU . 4.2 mpt_? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.936 -0.448 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -36.01 47.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.95 52.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.0 OUTLIER -65.62 -40.84 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.647 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.62 -40.24 78.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 16' ' ' GLN . 12.0 mm100 -71.18 -71.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.11 -32.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.931 ' O ' HG23 ' A' ' 19' ' ' ILE . 35.6 mtp -79.82 -43.05 23.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.779 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.9 tm0? -63.35 -35.74 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.95 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.68 -40.44 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 15' ' ' MET . 5.3 pt -75.46 -49.4 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -54.35 -33.71 59.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.063 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -70.79 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.58 ' CG2' HD23 ' A' ' 82' ' ' LEU . 43.0 mt -58.52 -25.1 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.4 tp -88.29 -15.95 34.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 31.9 mt-30 -109.19 -6.2 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 21' ' ' LEU . 27.5 mtp85 -115.59 -54.58 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -70.6 -15.62 62.77 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.4 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.29 74.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -94.47 -53.4 0.24 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.401 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.93 -30.53 7.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -70.09 -60.19 2.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -59.1 -27.55 65.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.88 41.1 8.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.508 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 11.8 mtt -146.62 -174.31 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.45 82.4 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.4 p -45.65 145.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.4 m -124.59 161.9 25.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.9 p -118.8 90.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.17 29.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.7 135.86 3.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.779 HG11 ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -144.62 121.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LYS . 24.6 mt-10 -133.96 95.2 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.647 ' HE1' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -104.01 102.61 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 111.102 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.457 ' O ' ' O ' ' A' ' 49' ' ' TYR . 3.1 m -113.73 105.49 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.598 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.27 -0.36 35.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.81 -22.26 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.12 -62.76 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.22 77.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.358 1.036 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 35.0 m-85 -157.59 137.7 12.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.996 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -145.52 95.22 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -90.26 104.01 16.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -102.79 152.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 14.6 t80 -107.6 153.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -155.72 121.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.12 121.8 40.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.0 m-85 -112.75 153.13 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . 18.1 tp -90.04 16.05 9.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.869 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -54.16 -28.36 39.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -39.49 -36.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -39.97 -47.6 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.24 122.68 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.3 tm-20 -67.3 -23.14 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -42.75 69.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -18.81 48.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.37 -44.2 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -74.85 -51.6 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.48 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.15 -60.91 7.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.407 1.067 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CD2' ' A' ' 99' ' ' TYR . 7.8 tt -55.29 -27.98 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -70.33 -33.42 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -74.11 -44.64 53.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 27' ' ' ILE . 2.0 tp -72.21 -19.75 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -45.8 24.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -71.26 -27.36 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -90.03 14.75 11.5 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -55.85 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.82 -18.23 4.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -76.01 -42.62 47.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.995 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 83' ' ' LEU . 14.5 pt -71.18 -39.36 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -66.23 -46.3 77.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -73.95 -33.35 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.58 HD23 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -65.61 -33.77 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 95' ' ' LEU . 4.8 mt -71.65 -57.02 4.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.32 -46.38 21.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -74.23 -41.47 61.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.18 -30.3 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.572 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.4 ttm -112.42 12.34 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 87' ' ' MET . 8.4 mtt85 22.72 76.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.8 tp -114.5 -151.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -149.92 -43.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.885 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -39.81 -29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.1 t 25.51 59.42 0.45 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.885 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.96 167.01 28.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.541 1.811 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -67.84 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.996 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.79 86.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.63 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -89.01 168.26 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.741 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 11.2 p90 -131.04 113.4 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.741 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.02 99.78 12.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.76 87.09 2.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -171.02 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.83 12.77 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.046 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -93.41 1.89 56.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -133.96 1.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.512 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.9 mt-10 -145.92 -36.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 92.28 -34.05 4.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.512 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -136.43 26.79 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 0.734 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.423 ' HA ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -78.4 -40.64 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -61.12 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -42.77 43.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.408 1.067 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -61.02 -36.96 80.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 12.0 mm100 -71.04 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -41.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.956 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.54 -39.74 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.826 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -64.31 -34.05 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.65 -40.26 56.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 8.0 tp10 -68.25 -41.11 81.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.956 HG23 ' O ' ' A' ' 15' ' ' MET . 4.1 pt -74.29 -44.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.32 -35.02 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.47 -59.99 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.816 HG21 HD22 ' A' ' 82' ' ' LEU . 69.3 mt -58.78 -20.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -86.66 -18.05 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.34 -7.43 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.65 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.58 -20.69 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.026 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -80.93 175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.626 ' HZ3' ' HA ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.0 72.14 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.566 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -88.04 -48.35 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -75.06 -14.56 20.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.388 1.731 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -83.68 -49.12 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.578 HD23 HD22 ' A' ' 58' ' ' ASN . 2.2 mp -70.7 -23.52 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 84.31 34.1 18.13 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -137.87 167.06 22.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 0.776 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ttp -115.7 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 ' CD1' ' A' ' 56' ' ' PHE . 63.3 p -38.82 158.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.7 m -138.67 165.22 27.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 37' ' ' THR . 71.1 t -124.61 83.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.18 22.56 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.1 136.47 3.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.826 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.4 p -151.71 136.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -148.12 134.76 19.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.214 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -134.19 108.43 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -105.2 107.24 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.488 ' HG2' HD13 ' A' ' 91' ' ' ILE . 1.8 mpp_? -101.36 -4.42 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -50.25 -22.77 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.88 -66.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.58 60.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.1 m-85 -146.82 130.19 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.33 156.34 48.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 112.53 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 19' ' ' ILE . 2.0 p -109.91 123.19 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.424 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.813 HG11 HD11 ' A' ' 23' ' ' LEU . 6.5 m -152.16 119.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.634 1.209 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -109.88 130.72 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.721 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.4 m-85 -119.38 169.41 10.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tp -109.3 27.59 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.194 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.867 ' HB3' HG23 ' A' ' 65' ' ' VAL . 3.2 m-20 -71.79 -29.2 64.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' LYS . 2.1 t70 -39.32 -43.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.6 mttt -37.73 -43.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.46 117.42 22.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 tt0 -66.69 -20.37 65.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.226 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -43.57 64.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.06 -19.89 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.182 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.14 -39.93 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -52.35 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.9 71.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.95 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.1 tt -53.73 -34.2 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.47 80.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.09 -40.07 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.026 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -72.66 -19.33 61.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -47.99 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.3 pt-20 -68.88 -30.63 69.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.28 18.54 6.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.1 t -63.1 -74.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.91 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.5 -19.06 2.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.33 -44.51 44.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.724 . . . . 0.0 111.07 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.1 pt -68.69 -37.82 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 83' ' ' LEU . 6.4 ttt-85 -66.87 -45.76 77.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -70.78 -34.85 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.841 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.3 tt -64.48 -37.63 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -66.72 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -41.42 -52.63 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.628 1.205 . . . . 0.0 111.047 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -67.26 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 0.807 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.09 -33.59 71.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.8 ptp -110.51 12.32 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 3.3 mtt180 22.9 74.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.751 HD23 ' CG1' ' A' ' 91' ' ' ILE . 2.5 tp -112.08 -152.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 92' ' ' VAL . 28.4 ptt180 -146.26 -45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.3 pt -40.65 -29.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.588 ' C ' ' O ' ' A' ' 91' ' ' ILE . 48.7 t 23.4 61.08 0.36 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.04 159.36 41.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -68.2 59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -69.49 87.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 52' ' ' VAL . 2.7 t -79.97 165.94 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 14.2 p90 -124.94 108.91 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.05 114.15 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.92 100.81 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 0.0 111.048 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 91.75 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.442 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -93.24 -174.54 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.434 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -85.84 12.66 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.923 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.506 HD22 HG11 ' A' ' 65' ' ' VAL . 2.8 tp -95.3 0.49 53.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 104' ' ' VAL . 27.7 t -140.05 7.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.518 ' CB ' ' HE2' ' A' ' 107' ' ' MET . 4.3 mm-40 -148.45 -37.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.68 -39.21 3.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE2' ' CB ' ' A' ' 105' ' ' GLU . 1.2 ptp -87.31 15.32 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 10.0 mmt-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.16 -38.53 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -42.5 93.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -34.23 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.05 92.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.2 mm100 -69.34 -65.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.255 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -42.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.954 ' O ' HG23 ' A' ' 19' ' ' ILE . 90.8 mtp -74.86 -37.08 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.875 ' CG ' HG21 ' A' ' 41' ' ' VAL . 1.9 tm0? -64.54 -36.06 83.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 pttt -77.5 -37.8 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.3 tp10 -68.12 -43.82 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.954 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -74.01 -43.15 52.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.8 -33.71 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -71.57 -56.67 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 76.2 mt -58.89 -23.62 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 HG11 ' A' ' 54' ' ' VAL . 12.6 tp -86.61 -15.24 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -110.99 -9.04 14.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 11.5 mmt180 -113.63 -59.06 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.877 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.59 -19.56 65.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -81.7 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.95 71.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.86 -51.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -74.96 -6.21 17.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.45 -15.25 19.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.648 1.218 . . . . 0.0 110.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.53 HD22 HD22 ' A' ' 58' ' ' ASN . 22.1 mt -88.24 -24.74 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 90.66 23.16 31.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.405 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.0 mpp? -153.07 175.02 13.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.49 125.97 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.727 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.3 p -88.27 168.21 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -143.63 166.28 25.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 38' ' ' VAL . 8.9 p -126.56 86.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.39 28.79 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.045 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . . . 177.35 138.94 3.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.932 HG22 HG23 ' A' ' 52' ' ' VAL . 3.2 t -151.69 148.47 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.595 0.821 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.8 mt-10 -155.29 131.95 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -135.22 107.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.767 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -106.24 107.23 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.847 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.55 -0.46 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.48 -15.75 40.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.36 -70.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.5 56.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.767 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -152.09 130.41 12.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -139.25 151.31 46.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -133.95 122.37 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.932 HG23 HG22 ' A' ' 41' ' ' VAL . 1.9 p -118.02 127.64 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -85.05 144.21 28.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.765 HG11 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.41 118.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.57 129.7 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 36' ' ' THR . 4.8 m-85 -118.87 167.09 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.05 16.0 25.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' A' ' 65' ' ' VAL . 5.0 m-20 -60.28 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -38.12 -43.57 0.76 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.8 mtpt -39.31 -41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.76 118.62 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -67.84 -19.8 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -43.75 55.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.47 49.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.63 -42.68 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -72.07 -58.2 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.54 44.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.61 5.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.221 HD11 ' CD1' ' A' ' 99' ' ' TYR . 4.4 tt -57.73 -28.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -68.58 -29.88 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.58 -41.53 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 27' ' ' ILE . 69.0 mt -65.41 -29.88 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -79.03 -48.02 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -63.66 -20.57 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.83 20.1 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 71.4 m -54.51 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.06 -23.15 1.03 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -72.47 -44.92 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 111.046 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.749 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.5 pt -71.91 -40.87 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 83' ' ' LEU . 1.7 ttp85 -66.69 -48.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.5 t -69.29 -34.14 74.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.877 HD22 ' HG2' ' A' ' 26' ' ' GLU . 6.5 tt -65.0 -34.81 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.1 mt -69.23 -58.15 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.94 -51.01 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -69.07 -41.23 77.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.47 -31.13 70.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.0 ttm -110.9 11.43 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' C ' ' O ' ' A' ' 87' ' ' MET . 29.7 mtt85 23.61 76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.295 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.1 tp -116.41 -153.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.8 ttt180 -145.76 -45.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.847 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.2 pt -42.3 -31.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 90' ' ' ARG . 26.1 t 24.59 60.24 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.182 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.789 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.6 Cg_endo -74.94 160.95 39.71 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 50' ' ' ALA . 2.4 tt0 -66.46 59.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -68.41 90.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 52' ' ' VAL . 1.2 t -90.46 163.04 14.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 79' ' ' ILE . 21.1 p90 -122.38 112.5 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.92 115.2 27.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 1.221 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -83.81 104.69 14.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -108.63 87.53 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 3.9 m-20 -94.58 -175.06 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.453 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -83.24 10.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.592 HD22 HG11 ' A' ' 65' ' ' VAL . 1.5 tp -93.1 2.58 56.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.62 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.4 t -138.09 9.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.821 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 6.2 mt-10 -155.14 -37.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.86 -35.21 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.821 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.1 ptp -90.03 10.49 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.453 ' C ' ' OG ' ' A' ' 102' ' ' SER . 12.6 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.7 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 162.61 45.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -134.9 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.24 84.19 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -135.49 -179.19 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.72 -1.27 63.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -78.61 177.65 2.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.2 Cg_endo -75.05 3.15 5.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -84.67 -38.32 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -56.73 -63.25 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.09 -41.01 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.7 -36.13 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.512 ' N ' ' NE2' ' A' ' 13' ' ' GLN . 1.2 mm-40 -69.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.83 -38.39 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.08 -39.2 60.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.95 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.4 tm0? -64.91 -35.65 81.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.91 -38.14 58.04 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.6 tp10 -68.45 -43.36 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -74.26 -36.65 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -63.06 -34.82 78.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.621 1.201 . . . . 0.0 109.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -71.96 -59.1 2.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.627 HG23 ' HB3' ' A' ' 26' ' ' GLU . 14.7 mt -60.88 -19.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.043 HD21 ' CG1' ' A' ' 54' ' ' VAL . 7.3 tt -85.07 -19.27 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 3.8 mt-30 -111.95 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.0 mtm180 -109.04 -62.08 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.627 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.71 -21.16 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -78.4 179.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.85 73.12 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.87 -45.48 0.68 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -74.98 -21.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -81.51 -15.85 53.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 1.7 mp -110.59 14.55 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.94 37.41 0.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 76.6 mtm -150.51 155.35 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 128.83 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -91.61 165.46 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.537 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -135.23 164.77 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 37' ' ' THR . 69.0 t -127.02 80.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.29 33.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.51 136.67 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.95 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.0 mm-40 -142.52 127.27 18.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.627 ' CE ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.75 106.95 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.747 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.24 107.91 17.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.866 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.61 -5.58 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.88 -18.79 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.89 -71.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.67 61.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.747 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -155.88 133.96 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.841 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -139.75 164.95 28.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.76 113.66 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 96' ' ' THR . 9.9 p -108.68 145.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -112.64 141.4 46.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.043 ' CG1' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.77 122.92 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.3 OUTLIER -110.41 131.08 55.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.098 . . . . 0.0 110.44 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.1 m-85 -123.23 168.13 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.77 17.41 24.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.884 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.8 m-20 -57.58 -27.66 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 102' ' ' SER . 5.8 t70 -41.37 -35.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -41.33 -43.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.59 120.42 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -66.94 -18.44 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -39.88 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.93 -24.02 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.884 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -76.45 -42.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 69' ' ' ILE . 53.3 tttt -71.7 -56.2 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.76 -53.7 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.44 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -48.05 -61.84 4.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CD2' ' A' ' 99' ' ' TYR . 5.7 tt -52.36 -36.98 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.381 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.39 -35.75 76.48 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.16 68.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 27' ' ' ILE . 16.4 tp -73.17 -24.12 60.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.56 -44.8 41.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -68.94 -33.48 73.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.63 10.47 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 35.4 t -55.12 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.37 -19.22 4.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.17 -43.06 54.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 ' CE1' ' A' ' 97' ' ' PHE . 15.6 pt -71.71 -38.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -67.2 -46.68 73.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 t -71.72 -36.89 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -64.5 -33.04 74.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 79' ' ' ILE . 13.5 mt -70.76 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.58 8.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.36 -40.05 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.54 -32.34 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -112.42 14.5 20.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 83.3 mtt180 22.42 78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.4 tp -119.25 -150.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.6 ptt-85 -148.12 -44.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.866 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -37.37 -36.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.1 t 23.75 60.12 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.99 157.2 42.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.26 66.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.841 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -72.8 90.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.7 t -68.41 161.65 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.37 103.55 10.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.057 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -92.35 121.36 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.91 103.33 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 1.5 t0 -105.31 87.88 2.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.87 -170.69 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.4 15.7 11.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.562 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -101.1 2.44 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.1 t -132.21 3.15 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 21.0 mt-10 -150.13 -38.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.37 -5.16 78.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -123.7 25.71 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 111.011 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' OE2' ' A' ' 105' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.478 0.18 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 -130.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.09 86.46 1.64 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.62 86.73 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.2 t80 -144.34 136.52 26.37 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -39.7 -25.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.12 177.54 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.2 Cg_endo -74.95 5.22 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.597 1.841 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.544 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -78.51 -37.13 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.3 tmm_? -60.95 -59.08 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 15' ' ' MET . 45.2 t -54.76 -44.53 71.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.39 88.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.544 ' NE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -64.79 -70.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.19 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 15' ' ' MET . 7.8 pt-20 -38.73 -37.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.85 -42.86 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 tm0? -64.2 -35.3 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.54 -39.64 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.77 -41.3 83.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.212 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -76.69 -38.54 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -59.04 -35.78 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -74.99 -59.41 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' GLU . 68.4 mt -57.74 -21.01 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.052 HD11 ' CG1' ' A' ' 54' ' ' VAL . 10.3 tt -87.66 -16.59 33.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -114.52 -61.46 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.767 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.85 -19.03 65.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.795 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.79 175.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.79 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.68 72.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.229 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.63 -46.24 0.61 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.9 -10.72 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -87.27 -25.8 23.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 28' ' ' LYS . 1.7 mm? -84.98 -22.7 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.91 21.18 58.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.561 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 34.3 mtm -146.07 151.79 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 ttp -88.66 101.17 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 56' ' ' PHE . 38.6 p -60.72 169.8 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.628 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -145.42 162.99 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 69.0 t -127.88 85.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 13.57 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.41 124.44 1.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 16' ' ' GLN . 38.3 t -148.29 128.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 0.805 . . . . 0.0 109.366 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' SD ' ' A' ' 43' ' ' MET . 5.5 mt-10 -140.42 129.05 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 2.0 mmm -127.75 107.18 9.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -111.8 106.2 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.077 . . . . 0.0 110.05 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.736 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.52 -3.74 27.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -48.27 -23.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -148.26 -63.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.03 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 18.8 m-85 -152.38 140.05 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.883 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -150.24 147.88 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -128.47 107.76 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.818 HG21 HD21 ' A' ' 95' ' ' LEU . 2.9 t -104.53 114.92 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.216 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -91.07 153.32 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 111.045 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.052 ' CG1' HD11 ' A' ' 23' ' ' LEU . 2.7 m -153.34 122.8 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.628 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.91 133.61 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.416 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 5.0 m-85 -128.83 158.07 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' C ' ' SD ' ' A' ' 34' ' ' MET . 8.5 tp -90.62 11.45 22.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.871 ' HB3' HG23 ' A' ' 65' ' ' VAL . 3.2 m-20 -52.24 -27.7 15.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 102' ' ' SER . 0.6 OUTLIER -40.18 -41.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.63 -42.55 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.98 117.34 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 23.4 tt0 -67.41 -19.43 65.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -43.63 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.86 -19.44 44.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.871 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.79 -44.16 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.4 tmtm? -74.26 -53.47 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.56 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.97 -61.89 6.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.689 HD11 ' HB2' ' A' ' 99' ' ' TYR . 5.3 tt -55.45 -31.82 28.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 7.0 tttm -66.44 -33.22 75.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.04 -42.05 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.02 -24.73 65.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -79.08 -49.86 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -59.99 -30.11 68.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -89.02 13.63 12.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.469 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.6 m -54.57 -72.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.58 -19.85 3.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.428 1.08 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.18 -43.49 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.393 0.702 . . . . 0.0 110.931 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' CE2' ' A' ' 97' ' ' PHE . 17.6 pt -70.51 -39.43 76.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -67.77 -46.28 72.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.197 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.1 t -72.27 -33.61 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.767 HD22 ' HG2' ' A' ' 26' ' ' GLU . 3.7 tt -66.14 -34.22 77.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' MET . 30.7 mt -71.41 -53.28 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.196 . . . . 0.0 109.306 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.55 -46.49 37.55 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -42.09 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.97 -30.52 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttm -113.67 13.14 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 87' ' ' MET . 12.4 mtm180 23.06 79.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.5 tp -120.47 -158.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 8.8 mtt180 -141.89 -42.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.736 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.98 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 95.8 t 24.14 59.71 0.38 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.708 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.1 163.75 34.53 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.04 66.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.883 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -70.32 87.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 51' ' ' LYS . 1.5 t -72.56 172.92 9.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -130.53 111.56 12.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -104.71 119.93 40.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -97.24 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -108.93 92.29 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 8.8 p30 -98.04 -173.13 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 7.6 t -89.62 14.38 11.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 110.057 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -99.2 1.77 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -128.02 -3.51 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' O ' ' CE ' ' A' ' 107' ' ' MET . 5.1 mt-10 -142.63 -42.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.45 ' C ' ' OG ' ' A' ' 102' ' ' SER . . . 91.05 19.75 41.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -156.11 33.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.43 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.496 0.189 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 179.43 167.86 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 33.0 tttt -146.4 85.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 85.35 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -144.31 -176.88 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.19 0.17 63.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -79.86 177.85 2.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -85.97 -32.34 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -61.18 -50.42 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.78 -39.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' ' NE2' ' A' ' 13' ' ' GLN . . . -59.69 -42.89 93.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -64.9 -65.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -41.58 -38.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 110.325 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.968 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.8 mtt -77.65 -36.07 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.6 tm0? -66.88 -34.67 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.6 pttt -77.14 -39.85 47.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -67.33 -43.65 81.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.968 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -73.31 -40.8 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -58.9 -35.64 73.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.85 -62.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 26' ' ' GLU . 59.1 mt -58.71 -19.82 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 54' ' ' VAL . 8.7 tt -86.3 -17.09 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -112.21 -13.02 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -107.02 -64.13 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.6 -15.28 57.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -84.58 179.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.42 72.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.598 1.186 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.89 -54.5 0.3 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.84 18.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.06 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.6 -31.13 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.84 77.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 30.1 mtm -145.35 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.06 150.12 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' CD2' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -112.02 172.16 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -134.43 167.47 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 37' ' ' THR . 4.5 t -122.33 74.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.13 7.93 12.22 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.76 128.18 2.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.999 HG11 ' HG3' ' A' ' 16' ' ' GLN . 1.2 p -147.92 123.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.79 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -133.11 126.42 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.701 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -130.4 105.54 7.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.783 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.19 105.36 14.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.82 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.1 -2.33 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.616 1.198 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -15.24 26.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.66 -71.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.23 58.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.783 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.8 p90 -154.05 132.09 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.751 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.97 162.18 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.75 99.97 3.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.359 1.037 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.83 128.25 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -97.02 152.45 18.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -153.19 127.29 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.29 129.37 56.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 m-85 -121.81 166.28 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -99.54 13.24 34.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.87 ' HB3' HG23 ' A' ' 65' ' ' VAL . 2.0 m-20 -56.0 -21.04 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 3.7 t70 -47.67 -38.97 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.1 mtmt -40.02 -42.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.16 118.22 22.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' HG3' HD11 ' A' ' 103' ' ' LEU . 5.2 tt0 -67.17 -19.28 65.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -41.5 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.05 41.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.64 -42.76 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 4.7 ptmt -72.65 -55.11 7.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.332 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 66' ' ' LYS . . . -63.48 -53.33 53.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.21 5.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.859 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -52.81 -32.41 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -63.97 -35.23 80.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.71 -38.23 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 27' ' ' ILE . 11.3 tp -71.75 -22.63 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -78.17 -46.74 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -67.16 -31.08 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -87.48 12.94 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.8 m -56.65 -74.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.52 -18.76 3.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.93 -42.29 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 97' ' ' PHE . 16.6 pt -72.54 -38.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 95' ' ' LEU . 4.9 ttp180 -67.58 -45.68 74.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.621 ' CB ' HH21 ' A' ' 80' ' ' ARG . 3.1 t -73.67 -36.92 65.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' CD ' ' A' ' 26' ' ' GLU . 7.7 tt -62.69 -37.71 87.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -69.15 -62.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.96 -41.08 3.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -79.52 -38.09 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.84 70.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 8.8 mtt -116.61 16.07 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.1 mtt85 22.34 77.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.555 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.7 tp -116.6 -148.68 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.59 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -153.05 -43.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.48 -34.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 91' ' ' ILE . 40.9 t 23.42 60.44 0.36 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.92 155.95 43.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.17 64.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -69.96 90.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.5 t -68.02 162.24 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.4 105.98 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -95.87 120.44 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 111.047 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.859 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.44 91.11 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.933 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.416 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 4.8 t0 -94.06 86.77 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -91.68 -172.35 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -89.14 12.27 16.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.914 HD22 HG11 ' A' ' 65' ' ' VAL . 2.7 tp -94.37 4.0 54.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 104' ' ' VAL . 41.9 t -134.49 10.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 5.6 mt-10 -160.55 -39.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.01 -32.4 4.64 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -75.64 0.04 18.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' C ' ' OG ' ' A' ' 102' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 O-C-N 124.472 1.107 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.565 0.221 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.7 -22.8 12.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -119.97 98.29 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -109.92 85.45 2.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 5.5 t80 -139.71 -177.02 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.92 5.6 72.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -84.61 177.59 2.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.06 1.65 7.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.58 -34.44 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -61.06 -52.35 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -38.86 81.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -59.74 -37.93 80.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 mm100 -70.56 -66.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -38.65 -41.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.949 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.8 -40.52 63.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.945 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.6 tm0? -62.05 -34.47 76.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -40.27 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.12 -43.12 83.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 15' ' ' MET . 4.0 pt -74.52 -39.43 47.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -57.73 -36.91 72.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -72.14 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 21.2 mt -58.65 -20.43 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 HG11 ' A' ' 54' ' ' VAL . 8.5 tt -88.14 -16.1 34.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.07 -5.33 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.223 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -116.28 -39.91 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.686 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -94.68 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.61 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.49 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.57 72.69 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.55 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -95.18 -54.75 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.62 1.2 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.07 -23.57 13.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' CD1' ' A' ' 32' ' ' LEU . 14.4 ttt180 -77.59 -42.0 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -87.41 10.74 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.82 55.53 1.09 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.641 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 14.4 mtm -150.82 177.47 10.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 0.715 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.15 83.93 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.582 1.176 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.634 HG22 ' CD2' ' A' ' 56' ' ' PHE . 45.1 p -53.02 156.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.594 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.9 m -133.4 162.43 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.26 79.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.67 23.73 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.01 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.28 133.59 2.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.606 1.191 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.945 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -150.83 132.83 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 20.5 mt-10 -139.66 126.92 21.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -131.95 106.66 8.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.749 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -111.37 107.45 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.865 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -99.83 -6.09 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.41 -19.7 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.06 -70.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.8 63.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.231 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.749 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 52.2 p90 -156.7 130.89 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.7 163.67 30.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.741 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -142.31 104.0 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -102.41 124.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.487 ' O ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -89.3 151.88 21.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.373 1.046 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.94 HG11 HD11 ' A' ' 23' ' ' LEU . 1.3 m -153.73 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.62 1.2 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.594 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.71 136.47 52.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' CD2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -130.67 159.45 37.19 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.83 16.78 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.861 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 1.1 t70 -40.24 -41.37 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 2.6 mtmt -39.9 -43.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.64 118.82 24.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.0 tt0 -67.32 -21.15 65.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -44.13 66.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.374 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.19 -19.35 47.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.861 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.18 -41.75 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.6 1.187 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 10.6 tttm -75.84 -50.18 15.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.76 61.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.34 -60.67 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.3 tt -55.85 -37.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.335 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 5.7 ttpp -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 56' ' ' PHE . 21.3 mt -72.78 -25.91 61.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -51.92 9.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -63.19 -31.93 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.242 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.0 15.74 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.2 t -55.25 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.59 -19.23 4.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.54 -43.29 49.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 0.777 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.0 pt -71.32 -39.78 72.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.864 ' HA ' HD11 ' A' ' 95' ' ' LEU . 33.0 ttp85 -66.61 -46.92 74.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.7 t -71.18 -38.91 72.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.7 tt -60.47 -37.33 80.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.227 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 79' ' ' ILE . 6.6 mp -68.45 -59.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.68 -41.3 5.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -78.67 -39.85 35.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 0.708 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.94 -30.98 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.9 mtm -113.52 15.41 19.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.0 mtm180 22.2 83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.669 HD23 ' CG1' ' A' ' 91' ' ' ILE . 5.7 tp -126.58 -148.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -155.19 -41.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.865 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.78 -34.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.602 ' C ' ' O ' ' A' ' 91' ' ' ILE . 94.3 t 23.59 60.21 0.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.67 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.95 157.56 42.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.9 65.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -69.16 91.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.7 t -68.03 161.56 26.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.6 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.49 104.65 11.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.989 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.453 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -93.15 119.83 32.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.6 93.01 5.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 5.4 t0 -98.43 87.89 3.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.411 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -95.31 -173.05 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -87.23 16.2 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.945 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -98.8 2.2 46.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.59 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.3 t -135.11 6.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.568 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 0.5 OUTLIER -154.29 -40.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.18 -20.78 31.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.568 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.0 mtm -103.05 17.02 25.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 6.1 mmt180 . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.355 1.035 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 29.2 ttp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.453 0.168 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 172.57 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.47 88.9 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.67 86.81 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.235 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.5 t80 -143.74 -171.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.53 3.01 71.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.528 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -81.42 178.84 2.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.11 1.22 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.551 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -85.44 -26.12 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.4 tmm_? -70.98 -49.72 42.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.232 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -61.71 -41.41 97.58 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -69.12 -63.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -45.18 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.967 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -72.73 -38.91 67.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.906 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.64 -33.29 74.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -76.28 -42.66 44.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.22 -41.99 89.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -73.97 -44.21 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -53.57 -38.17 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.13 -56.8 5.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 69.6 mt -58.31 -22.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.776 HD21 ' CE1' ' A' ' 97' ' ' PHE . 7.1 tp -87.67 -16.09 35.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 1.8 mt-30 -110.08 -7.85 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.86 -56.84 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.4 -11.25 60.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.95 179.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.676 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.25 69.59 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.84 -50.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -75.03 -1.35 11.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.668 ' HD3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.52 -34.92 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 31' ' ' ARG . 4.3 mp -77.56 -20.39 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.26 55.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -126.01 165.38 18.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.71 80.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.5 p -45.42 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.605 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.6 m -148.33 163.72 36.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.16 80.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 33.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.14 135.51 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.362 1.039 . . . . 0.0 110.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -155.06 132.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.759 . . . . 0.0 109.36 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.2 mm-40 -139.27 127.34 22.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.2 107.8 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.725 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -108.38 107.83 18.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.48 -3.28 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -16.63 29.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -143.92 -72.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.05 62.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.725 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 49.9 p90 -158.86 137.55 11.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.128 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.884 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.75 162.66 34.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.55 108.02 4.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG22 HG23 ' A' ' 41' ' ' VAL . 3.7 t -105.13 150.06 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -111.97 144.04 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.155 HG21 ' CE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -143.66 118.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.605 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -110.12 129.55 55.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.916 ' CE2' HD13 ' A' ' 72' ' ' LEU . 6.5 m-85 -119.74 169.32 10.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.12 21.1 17.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.837 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.07 -28.55 69.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 13.8 t70 -38.62 -42.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -38.75 -42.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 117.24 21.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.1 tt0 -66.85 -19.3 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -42.49 57.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.51 -20.53 43.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.58 -42.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 69' ' ' ILE . 1.9 tttm -72.94 -56.49 5.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -53.44 54.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' ALA . . . -49.86 -61.41 5.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 5.8 tt -53.48 -30.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -68.34 -34.38 76.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.34 -45.06 23.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.25 -19.77 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 41.2 mt-30 -80.05 -51.88 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -84.56 5.1 29.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 79' ' ' ILE . 26.2 m -52.45 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.04 -20.4 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -74.72 -44.06 51.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.903 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -70.98 -37.65 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.6 -46.09 70.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 m -73.63 -35.32 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 26' ' ' GLU . 5.6 tt -65.25 -34.37 78.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 79' ' ' ILE . 7.5 mp -69.94 -62.03 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.29 -47.46 6.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.56 -41.49 65.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.19 -33.75 72.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.7 ptp -110.74 12.29 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.584 ' C ' ' O ' ' A' ' 87' ' ' MET . 10.4 mtm180 23.45 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tp -125.87 -153.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.728 ' HE ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -145.24 -44.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.728 HG23 ' HE ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -37.58 -37.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 47.4 t 24.25 60.03 0.39 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD3' HD12 ' A' ' 91' ' ' ILE . 18.1 Cg_endo -74.99 155.13 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.76 66.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.214 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.884 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.33 89.3 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 51' ' ' LYS . 3.8 t -67.7 166.24 15.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 1.155 ' CE2' HG21 ' A' ' 54' ' ' VAL . 1.7 t80 -122.71 113.03 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -98.88 112.22 24.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -86.77 104.63 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.45 86.11 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -94.62 -173.18 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.03 15.82 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -102.29 5.48 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -132.67 5.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 42.3 mt-10 -155.93 -37.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.04 -3.57 87.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.597 1.185 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.552 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 mtm -124.75 25.31 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.506 ' CD ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.17 45.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.89 86.97 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.26 86.68 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 1.7 t80 -143.47 125.96 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' PHE . . . -37.54 -27.87 0.03 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.594 1.184 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.09 178.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 17.9 Cg_endo -74.99 5.36 4.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 tp60 -77.73 -39.39 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.9 tmm_? -58.19 -52.08 67.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -39.65 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.78 89.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -70.84 -65.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.228 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -38.62 -44.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 0.0 110.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 1.005 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.01 -39.99 65.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.683 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -61.69 -33.2 73.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -41.13 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -67.47 -37.52 83.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.005 HG23 ' O ' ' A' ' 15' ' ' MET . 4.9 pt -75.86 -44.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' GLN . . . -57.05 -34.5 68.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.09 -57.61 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 57.5 mt -57.49 -24.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 11.8 tp -87.12 -14.59 40.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -109.96 -7.66 14.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -114.86 -50.52 2.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -76.81 -11.53 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.3 178.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.65 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -104.08 72.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.17 -52.88 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.0 0.75 8.53 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 8.2 ttt180 -90.16 -31.59 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.86 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.6 mp -81.84 -24.44 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.77 21.27 40.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mpp? -143.08 152.39 41.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 0.763 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpp -91.61 117.74 30.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -80.46 158.01 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -133.07 168.39 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' CG2' ' A' ' 37' ' ' THR . 49.0 t -132.67 91.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.36 18.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.36 131.34 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.5 p -143.14 127.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.46 122.68 28.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.616 ' CE ' HD13 ' A' ' 19' ' ' ILE . 2.7 mmm -129.93 104.43 7.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -109.95 105.08 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -103.17 -4.97 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -52.59 -20.82 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.183 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -147.68 -70.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.54 62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.6 m-85 -147.84 144.26 28.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.786 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -158.21 163.35 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HB3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -150.19 109.08 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 95' ' ' LEU . 4.2 p -104.73 131.06 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -101.54 144.12 30.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -144.46 122.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.563 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.91 130.86 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -123.63 163.7 20.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.25 16.19 17.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.862 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -58.04 -30.86 66.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -38.89 -42.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.7 mtmt -39.05 -42.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.48 117.25 21.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 65' ' ' VAL . 43.7 tt0 -66.89 -20.1 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -42.91 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.5 -20.12 44.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.73 -42.47 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.69 -52.92 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.71 -53.11 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.79 -61.46 6.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 99' ' ' TYR . 5.1 tt -56.39 -29.41 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 25.8 mttt -67.55 -33.4 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.16 -41.2 29.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -70.27 -23.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.16 -52.0 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.42 -29.69 70.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.883 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -93.53 12.55 24.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 79' ' ' ILE . 12.7 m -56.27 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.34 -24.86 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.41 -43.99 68.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 110.943 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -66.42 -39.67 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.666 HH21 ' HA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -62.57 -43.22 99.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -76.06 -30.97 58.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -61.32 -45.31 94.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.715 HD23 HG22 ' A' ' 19' ' ' ILE . 9.4 mp -69.76 -48.44 59.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.936 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -52.09 -44.81 57.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.607 1.192 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -77.6 -42.3 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.5 -31.08 70.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.581 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.5 ttm -119.0 20.14 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.581 ' C ' ' O ' ' A' ' 87' ' ' MET . 27.7 mtp180 23.22 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.936 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -125.28 167.69 14.54 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' ILE . 3.8 ptt-85 -116.69 -40.66 3.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.958 HD13 ' CD ' ' A' ' 45' ' ' ARG . 1.6 pt -39.15 -32.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 92' ' ' VAL . 75.1 t 23.68 59.4 0.35 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.896 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.7 Cg_endo -74.89 153.22 42.2 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.591 1.837 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.666 ' HA ' HH21 ' A' ' 80' ' ' ARG . 5.0 tt0 -67.31 69.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.786 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -71.0 89.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' HB3' ' A' ' 51' ' ' LYS . 1.3 t -67.18 165.9 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -118.87 112.87 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -106.16 115.46 30.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.581 ' CG ' HD11 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -93.53 110.32 21.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -112.56 88.11 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -98.76 -173.58 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.22 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 102' ' ' SER . 1.2 t -89.6 15.4 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.69 HD22 HG11 ' A' ' 65' ' ' VAL . 1.3 tp -99.88 3.1 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.7 t -130.27 -0.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 9.4 mt-10 -147.51 -41.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.49 9.41 72.39 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.4 OUTLIER -135.83 14.36 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.501 ' CD ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.429 0.156 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.65 -172.33 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 86.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.225 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.76 85.21 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' ARG . 2.2 t80 -144.85 136.37 25.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -39.39 -25.86 0.06 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.19 177.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.0 5.04 4.22 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.5 1.789 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -39.99 42.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.99 -44.49 87.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' MET . 30.7 t -74.89 -34.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.404 1.065 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 16' ' ' GLN . 19.7 mm-40 -66.82 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.97 -42.03 1.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.907 ' O ' HG23 ' A' ' 19' ' ' ILE . 13.5 mtp -75.58 -36.79 60.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.643 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tt0 -64.06 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -77.15 -42.92 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.8 -41.28 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.907 HG23 ' O ' ' A' ' 15' ' ' MET . 5.4 pt -73.37 -49.27 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -52.59 -36.27 55.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -69.43 -60.67 2.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 83' ' ' LEU . 44.4 mt -57.64 -21.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 13.7 tp -87.35 -17.17 33.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 6.4 mt-30 -111.65 -6.72 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.55 -57.65 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.632 1.208 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.815 ' OE2' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.54 -18.24 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.971 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.2 178.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.638 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.19 72.37 1.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.26 -49.87 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -74.91 -14.73 21.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.558 1.82 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -80.32 -42.62 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.168 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 28' ' ' LYS . 8.5 mt -71.23 -24.1 62.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 85.66 28.95 28.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.8 mpp? -145.35 172.22 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 ttm -115.96 105.15 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.667 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.2 p -72.37 158.1 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.0 m -135.07 161.97 33.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.63 88.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 22.77 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -174.11 138.63 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -149.84 124.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -139.07 136.7 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.474 ' CE ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.18 106.26 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -103.97 106.93 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.892 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' CG ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.58 -8.07 23.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.205 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.655 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.28 -23.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.228 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -144.03 -72.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.64 60.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 4.0 m-85 -147.53 130.86 16.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -136.15 159.8 40.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.402 1.064 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -141.81 115.62 9.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -114.17 119.63 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' C ' HG22 ' A' ' 54' ' ' VAL . 28.7 t80 -85.28 153.9 22.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.628 1.205 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -158.01 130.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.11 130.57 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.372 1.045 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.1 m-85 -120.86 159.8 24.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 111.065 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.43 28.25 7.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.86 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -68.14 -24.96 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 2.7 t70 -43.0 -39.29 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.38 -43.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.6 118.62 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.6 tt0 -67.01 -19.59 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -41.73 60.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.29 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -77.16 -41.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -50.37 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.41 -50.48 59.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.98 -61.28 7.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.834 HD11 ' HD2' ' A' ' 99' ' ' TYR . 1.5 tt -53.26 -38.37 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -33.86 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.6 -41.36 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.971 HD11 HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -66.68 -20.44 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -49.79 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -61.0 -28.0 68.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -95.9 16.08 18.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 28.5 p -55.17 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.27 -20.15 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -73.46 -46.76 46.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 111.001 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.566 HG22 ' OE1' ' A' ' 26' ' ' GLU . 14.4 pt -66.27 -39.98 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 83' ' ' LEU . 18.5 ttp180 -62.5 -45.08 94.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -27.36 61.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.815 HD23 ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.9 -43.21 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -67.68 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.383 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.749 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -43.3 -44.26 6.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -76.16 -38.96 56.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' CB ' HD13 ' A' ' 22' ' ' ILE . . . -59.71 -32.07 70.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.212 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.576 ' O ' ' C ' ' A' ' 88' ' ' ARG . 10.6 ptp -121.95 21.62 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' C ' ' O ' ' A' ' 87' ' ' MET . 0.2 OUTLIER 22.85 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.749 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -118.23 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -119.94 -43.18 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.6 pt -40.75 -29.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' ARG . 59.2 t 24.64 59.31 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.992 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -75.06 158.26 42.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.52 61.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.815 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -68.99 87.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 51' ' ' LYS . 5.0 t -71.96 165.09 24.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.841 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 15.5 p90 -123.69 109.56 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.66 113.54 25.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.841 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.94 94.35 6.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -100.98 93.85 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.369 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.426 ' ND2' ' CD2' ' A' ' 56' ' ' PHE . 6.1 m120 -89.79 -171.16 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -90.77 16.39 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.85 6.21 45.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 104' ' ' VAL . 9.6 t -131.58 3.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 63.6 mt-10 -155.26 -37.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.6 -9.14 78.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -149.77 25.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.964 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.605 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 9.5 ttp . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.442 0.163 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 168.69 76.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.677 1.235 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 3.4 tptt -147.73 100.28 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.36 85.45 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 t80 -143.75 -174.27 4.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.91 -0.16 72.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -76.81 178.27 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.516 0.774 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.5 Cg_endo -75.01 1.83 7.31 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.425 1.75 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 2.3 tp60 -82.16 -40.4 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 5' ' ' PHE . 16.1 ttt85 -56.12 -61.04 2.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.453 1.095 . . . . 0.0 110.349 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -41.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.26 74.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' GLN . 2.5 mm100 -66.87 -68.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 1.9 mm-40 -41.03 -39.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.972 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.03 -38.25 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -64.64 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.9 ptmt -75.69 -37.91 59.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.6 tp10 -69.21 -41.8 76.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 15' ' ' MET . 3.2 pt -75.8 -39.35 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.89 -35.61 77.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.06 -58.64 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 26' ' ' GLU . 20.0 mt -58.92 -20.8 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.761 HD11 HG11 ' A' ' 54' ' ' VAL . 6.6 tt -86.62 -18.26 31.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -110.86 -7.61 14.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -111.37 -61.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.91 -14.37 61.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.044 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.71 -179.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.817 ' HE3' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.25 73.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.98 -50.38 0.64 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.01 -16.4 20.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 2.6 ttt180 -77.22 -25.91 52.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.664 HD22 HD22 ' A' ' 58' ' ' ASN . 52.6 mt -87.66 -22.29 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.374 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.31 60.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.433 1.083 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 14.9 mtm -142.55 165.5 27.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 0.781 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -103.88 121.25 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 56' ' ' PHE . 62.6 p -84.95 164.8 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -141.56 168.0 20.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 53' ' ' TYR . 46.3 t -127.21 89.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 30.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.893 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.85 143.83 5.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 52' ' ' VAL . 11.0 p -152.2 138.7 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' LYS . 10.6 mt-10 -144.93 134.78 23.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -140.56 109.03 5.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.788 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -110.52 107.38 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.619 ' HG2' HG21 ' A' ' 91' ' ' ILE . 3.6 mtp180 -100.48 -1.4 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -16.37 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.211 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.729 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.3 tp -144.81 -71.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.3 57.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.788 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.5 p90 -151.81 135.55 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.86 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -143.21 120.75 11.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.66 136.1 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.62 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.35 146.56 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.761 HG11 HD11 ' A' ' 23' ' ' LEU . 22.9 m -146.67 119.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -106.97 124.24 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.5 m-85 -114.67 161.85 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' SD ' ' A' ' 34' ' ' MET . 9.7 tp -95.9 16.3 18.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.873 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.8 m-20 -60.38 -32.31 71.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.7 OUTLIER -40.72 -34.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 1.052 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -43.08 -46.31 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.9 122.92 33.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 103' ' ' LEU . 3.8 tt0 -67.5 -23.22 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.78 71.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.21 -18.83 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.873 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.96 -43.19 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -48.35 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.7 -52.12 53.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.58 -61.1 7.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 99' ' ' TYR . 3.6 tt -53.14 -34.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.23 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.23 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.044 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.91 -21.73 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -45.74 18.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -27.71 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . . . -95.23 17.97 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 11.2 t -58.18 -74.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.24 2.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -46.04 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.704 HG22 ' OE2' ' A' ' 26' ' ' GLU . 13.5 pt -67.83 -39.63 82.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.06 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.531 ' HA ' HD12 ' A' ' 83' ' ' LEU . 10.7 ttp180 -63.37 -44.91 93.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -71.18 -36.54 72.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 1.185 . . . . 0.0 109.979 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -58.83 -41.94 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.381 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 80' ' ' ARG . 2.1 mt -67.09 -65.62 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -40.44 -51.01 3.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -39.65 79.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.72 -31.09 69.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -113.37 12.56 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 16.7 mtt180 22.36 74.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.112 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.84 HD23 ' CG1' ' A' ' 91' ' ' ILE . 1.4 tp -112.64 -153.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 92' ' ' VAL . 1.4 ptm180 -142.91 -46.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.84 ' CG1' HD23 ' A' ' 89' ' ' LEU . 1.1 pt -39.92 -33.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 90' ' ' ARG . 28.9 t 23.4 61.73 0.37 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.06 157.85 42.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.99 59.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -69.83 90.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.384 1.053 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 t -82.97 166.23 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.994 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.5 p90 -125.37 110.73 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.62 114.35 25.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.603 1.189 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.757 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -86.34 108.83 18.61 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -114.02 97.19 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -100.87 -178.67 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.511 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.84 7.81 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.913 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 65' ' ' VAL . 1.6 tp -91.51 2.53 56.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.601 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -137.73 7.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.358 1.036 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.564 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 8.5 mt-10 -152.22 -37.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.51 48.53 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.433 1.083 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.564 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.6 ptp -112.54 18.74 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 0.707 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 11.5 mmt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.433 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . 8.7 mtp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.1 116.97 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.28 86.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.81 84.79 2.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -140.42 124.49 17.51 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 1.111 . . . . 0.0 111.079 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.07 -27.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -56.38 178.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -75.09 5.43 4.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.88 -41.8 35.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.17 -53.63 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.427 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -61.35 -40.42 86.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.99 87.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.6 mm-40 -70.34 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -38.09 -44.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.976 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.59 -40.8 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.1 tt0 -61.79 -32.96 73.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -41.56 55.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.228 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.9 -39.18 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.976 HG23 ' O ' ' A' ' 15' ' ' MET . 2.7 pt -76.8 -39.12 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.44 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.03 -60.06 2.46 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 26' ' ' GLU . 18.7 mt -59.2 -20.24 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.626 1.204 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.083 HD11 ' CG1' ' A' ' 54' ' ' VAL . 9.5 tt -85.21 -16.57 39.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -112.66 -13.91 13.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.42 -65.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.677 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -61.09 -18.29 57.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.702 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.85 -178.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.702 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.85 70.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.211 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.09 -50.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.01 1.63 7.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.434 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.8 ttt180 -93.66 -52.45 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.763 HD22 HD22 ' A' ' 58' ' ' ASN . 10.8 mt -66.62 -22.51 66.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.07 31.59 19.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.429 ' O ' ' OD2' ' A' ' 29' ' ' ASP . 3.9 mpp? -144.85 178.36 8.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.0 106.17 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.623 HG22 ' CD2' ' A' ' 56' ' ' PHE . 64.6 p -69.25 155.0 41.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.627 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -129.7 159.58 36.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.3 p -117.72 79.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.76 33.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.644 1.215 . . . . 0.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CB ' ' A' ' 53' ' ' TYR . . . 179.82 134.63 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.705 HG11 ' HG3' ' A' ' 16' ' ' GLN . 2.5 p -149.51 123.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 0.719 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.15 127.47 32.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -132.0 106.52 8.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.642 1.214 . . . . 0.0 111.047 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.666 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -114.99 109.2 17.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.378 1.049 . . . . 0.0 110.005 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HG2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.99 4.75 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -49.22 -32.45 10.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.731 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -142.01 -61.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.54 74.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.731 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -163.83 132.72 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.947 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.59 165.3 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.655 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.61 106.69 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.27 132.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.518 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 43.0 t80 -95.2 151.11 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.083 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -154.07 123.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.627 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -114.98 132.45 56.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.623 ' CD2' HG22 ' A' ' 36' ' ' THR . 1.4 m-85 -126.7 170.54 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.0 10.94 26.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.84 ' HB3' HG23 ' A' ' 65' ' ' VAL . 3.8 m-20 -49.59 -26.46 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' LYS . 14.2 t70 -39.86 -41.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' ASP . 18.0 mtpt -39.52 -42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.39 116.49 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 103' ' ' LEU . 1.7 tt0 -66.88 -19.15 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.36 -43.57 60.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.4 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.84 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.37 -43.63 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.215 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -74.9 -50.4 17.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.5 -61.11 7.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.407 1.067 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.5 tt -54.21 -33.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -67.25 -34.01 76.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.58 58.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.209 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.923 HD11 ' CE2' ' A' ' 97' ' ' PHE . 64.5 tp -75.91 -25.29 55.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -76.8 -44.58 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.92 -30.3 63.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -85.28 9.88 14.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' HD13 ' A' ' 79' ' ' ILE . 23.0 m -53.61 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.4 -22.61 0.64 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.78 -47.13 64.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 0.817 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.74 -34.5 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.701 ' HA ' HD11 ' A' ' 95' ' ' LEU . 43.6 ttp85 -65.93 -42.38 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -76.92 -33.24 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -62.26 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 79' ' ' ILE . 2.5 mt -71.17 -56.45 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.919 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -48.06 -44.46 25.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -76.48 -40.58 49.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -61.45 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.1 mtm -121.18 21.49 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 87' ' ' MET . 30.6 mtp180 22.71 85.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.919 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -121.35 -179.52 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.205 . . . . 0.0 109.262 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.4 ptt-85 -129.63 -40.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.854 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.5 pt -40.1 -31.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 49.5 t 23.61 60.82 0.37 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.854 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.5 Cg_endo -74.98 155.9 43.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.598 1.841 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.73 64.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.7 pp -68.81 91.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 51' ' ' LYS . 15.1 t -66.43 171.86 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.923 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -127.23 109.88 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -92.18 112.27 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.4 95.17 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -103.89 88.51 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.71 -170.05 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.3 15.28 7.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD11 ' HG3' ' A' ' 62' ' ' GLU . 3.6 tp -95.87 4.89 52.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.357 1.035 . . . . 0.0 109.226 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.596 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -136.02 6.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.6 1.187 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.52 ' HB2' ' HE2' ' A' ' 107' ' ' MET . 2.0 mt-10 -155.01 -36.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.16 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' ' HB2' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -137.91 27.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 107' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.46 0.171 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.2 168.37 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 4.5 tttt -146.84 82.59 1.57 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.54 1.15 . . . . 0.0 109.216 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -70.65 84.66 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 5' ' ' PHE . 2.4 t80 -118.25 8.47 12.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.93 -20.96 1.73 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HB3' ' HD2' ' A' ' 8' ' ' PRO . 5.0 mtt-85 -74.37 -179.35 0.97 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.596 ' HD2' ' HB3' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.02 3.44 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mp0 -85.78 -31.92 22.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' CG ' ' HA ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -50.54 -57.58 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.241 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.1 t -69.14 -41.77 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 9' ' ' GLN . . . -50.56 -39.15 48.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 mm-40 -73.69 -64.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -42.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.964 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.92 -38.31 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.728 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.6 -35.43 79.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.0 ptmt -76.2 -39.04 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -68.13 -44.42 76.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.964 HG23 ' O ' ' A' ' 15' ' ' MET . 3.7 pt -72.41 -45.09 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -55.2 -38.32 68.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -67.28 -60.3 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.603 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 92.6 mt -58.4 -21.56 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.774 ' CD1' HD12 ' A' ' 79' ' ' ILE . 18.9 tp -88.09 -16.46 33.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -110.86 -7.67 14.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.644 1.215 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.7 -54.67 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.85 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.61 -3.25 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -99.51 -179.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -99.66 70.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -86.12 -49.67 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.3 17.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -85.77 -42.41 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 34' ' ' MET . 62.8 mt -70.77 -26.15 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 89.39 25.33 28.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 33' ' ' GLY . 3.8 mpp? -142.65 161.58 37.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.99 86.58 2.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' CD1' ' A' ' 56' ' ' PHE . 23.4 p -46.33 167.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -141.89 162.79 34.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 38' ' ' VAL . 13.3 p -128.04 80.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.33 29.81 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.98 133.8 2.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.728 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.6 p -149.66 134.14 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mt-10 -135.29 126.55 28.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 19' ' ' ILE . 3.0 mmm -132.22 106.6 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.752 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -113.73 106.53 14.6 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.448 1.093 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.92 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.9 -4.39 26.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -57.82 -17.19 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -143.42 -72.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.91 62.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.752 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -157.64 136.8 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.75 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.3 103.17 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.7 p -99.24 134.67 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -100.83 140.98 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 97' ' ' PHE . 4.6 m -142.91 120.17 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.85 135.01 50.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.1 m-85 -126.77 166.26 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tp -103.6 17.92 23.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -58.74 -26.96 64.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . 1.1 t70 -39.25 -40.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.6 mtmt -39.87 -42.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -128.0 117.38 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 103' ' ' LEU . 17.9 tt0 -66.67 -19.48 65.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -42.68 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.55 44.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.38 1.05 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -76.07 -43.86 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -49.86 23.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.64 53.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.33 -61.01 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.403 1.064 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.1 tt -54.33 -35.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -63.71 -34.44 77.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.93 -38.66 61.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -73.4 -19.88 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.41 -45.71 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.627 1.204 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.76 -29.74 66.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -89.5 3.78 51.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -55.17 -69.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.32 -20.85 5.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -41.81 58.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -70.5 -39.24 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.572 ' HA ' HD11 ' A' ' 95' ' ' LEU . 23.6 ttp85 -65.29 -46.2 81.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -72.58 -35.27 67.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' A' ' 26' ' ' GLU . 4.4 tt -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.53 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.24 -43.81 7.49 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -75.97 -39.78 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 109.371 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.87 70.58 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.588 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -113.6 14.33 18.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.4 mtm-85 22.45 73.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.647 1.217 . . . . 0.0 110.27 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -154.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 9.3 ptm180 -143.25 -43.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.92 HG21 ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.23 -38.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.0 t 22.91 59.97 0.33 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.77 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.89 153.38 42.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -66.68 69.69 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.73 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -70.67 94.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 51' ' ' LYS . 12.2 t -66.65 160.65 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE1' HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -110.99 102.65 11.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -93.41 111.14 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -97.35 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -112.68 86.72 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.232 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -170.0 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.17 9.8 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.016 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -93.31 1.55 56.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.0 OUTLIER -133.66 4.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 10.2 mt-10 -148.77 -40.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.28 54.22 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.505 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -121.54 32.52 5.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.777 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' NE ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 O-C-N 124.402 1.064 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.53 0.205 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.97 177.08 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HD3' ' CG ' ' A' ' 9' ' ' GLN . 5.6 tttt -145.88 87.14 1.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.64 85.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -143.85 121.76 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.19 -27.12 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -58.03 178.79 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.393 0.702 . . . . 0.0 110.241 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.6 Cg_endo -75.02 4.88 4.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' CG ' ' HD3' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -77.8 -37.47 48.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.364 1.04 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.47 -62.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' MET . 2.2 t -55.76 -43.4 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.07 -34.6 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.0 mm-40 -76.71 -71.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -31.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.894 ' O ' HG23 ' A' ' 19' ' ' ILE . 53.4 mtp -80.77 -44.48 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.4 tm0? -63.22 -37.53 87.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.186 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.9 ptmt -78.12 -37.81 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.2 tp10 -66.73 -53.55 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 41' ' ' VAL . 2.3 pt -64.28 -42.26 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.648 1.217 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -56.92 -37.98 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -65.23 -58.58 5.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.7 mt -59.29 -22.97 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.611 ' CD2' HG11 ' A' ' 54' ' ' VAL . 13.5 tp -86.53 -16.58 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -111.14 -7.21 14.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -113.85 -56.08 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.32 -17.57 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.39 177.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.672 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.06 70.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.33 -50.88 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.06 -31.92 5.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -21.66 64.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' ' 28' ' ' LYS . 1.3 mp -78.56 -26.34 45.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.71 11.62 49.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.46 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mtt -128.56 -165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.412 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -136.16 78.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.913 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 p -43.05 155.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.525 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -137.63 161.3 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.369 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 5.8 p -121.81 73.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 t -43.38 -48.96 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -155.26 171.73 33.45 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 19' ' ' ILE . 61.4 t -153.38 129.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.342 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.53 110.78 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.323 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.5 104.58 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.87 106.84 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.075 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.548 ' NE ' HD13 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -97.91 0.72 47.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.04 -23.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -144.56 -61.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 164.58 80.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 37.3 m-85 -158.87 135.71 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -146.35 95.9 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.5 33.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.779 HG12 ' O ' ' A' ' 96' ' ' THR . 5.3 p -114.42 123.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -80.28 137.06 36.55 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.392 1.057 . . . . 0.0 110.927 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.611 HG11 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -141.85 117.48 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.525 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.33 128.07 53.29 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.913 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.0 m-85 -117.81 161.25 20.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' SD ' ' A' ' 34' ' ' MET . 11.1 tp -95.91 19.96 10.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.896 ' HB3' HG23 ' A' ' 65' ' ' VAL . 1.2 m-20 -59.68 -33.24 71.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -40.53 -34.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.3 -49.06 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.72 126.26 41.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 29.7 tt0 -67.58 -24.67 65.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -42.61 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.03 -19.22 48.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.61 -42.94 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.397 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -51.0 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.49 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.09 7.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -53.62 -32.09 20.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.41 -33.41 75.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.14 -43.89 23.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -67.34 -21.8 65.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -80.89 -52.92 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.1 pp20? -57.56 -31.71 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -88.59 14.08 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 5.6 t -56.78 -74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.7 -20.03 3.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.408 1.068 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.58 -43.92 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 97' ' ' PHE . 18.4 pt -71.74 -40.7 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.6 -47.8 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.8 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.812 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.6 tt -64.87 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.908 HD13 HD23 ' A' ' 95' ' ' LEU . 3.6 mt -69.13 -57.76 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -46.34 -49.86 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -70.92 -40.85 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.27 -32.66 70.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -112.07 11.91 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 6.3 mtt180 23.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.746 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.8 tp -118.41 -151.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.8 ptt-85 -149.38 -42.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -39.76 -28.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 67.8 t 26.9 57.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.88 61.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.93 87.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.779 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -107.78 173.79 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 3.0 p90 -138.17 124.09 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.33 120.2 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -82.55 101.19 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -108.79 90.59 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -172.39 2.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.51 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -91.43 14.05 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.07 -2.21 32.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.8 t -129.8 -2.8 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.0 mt-10 -139.68 -38.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.48 19.04 64.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.1 ptp -155.57 29.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' NE ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 7.6 ttt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.514 0.197 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 176.11 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -147.55 95.76 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -105.63 86.7 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.586 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 3.3 t80 -138.16 136.8 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.37 -25.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.46 1.1 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.39 178.07 0.18 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.404 0.708 . . . . 0.0 110.214 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.0 4.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.23 -42.44 37.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -55.51 -58.79 6.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -53.38 -40.69 41.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -61.55 -39.33 90.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 13' ' ' GLN . 2.1 mm-40 -68.45 -64.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.24 -43.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.74 -37.1 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.663 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.7 ptmt -76.12 -38.74 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 tp10 -68.73 -36.28 78.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -80.27 -40.02 19.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.217 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -62.37 -33.43 74.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.57 -57.44 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 89.2 mt -58.47 -24.49 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.715 HD11 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -87.44 -17.75 31.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 12.7 mt-30 -107.84 -5.47 17.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.5 tmt_? -115.42 -57.34 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.748 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.13 -19.7 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.11 178.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -97.08 74.19 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.86 -52.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.95 -20.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -72.69 -29.91 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 28' ' ' LYS . 6.6 mp -109.47 25.47 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 36.94 32.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 15.7 mtm -128.84 146.95 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -107.95 74.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.802 HG22 ' CD1' ' A' ' 56' ' ' PHE . 50.3 p -36.0 148.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -128.62 158.36 38.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.42 87.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 17.65 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.082 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.72 136.19 3.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.6 p -145.83 123.7 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' SD ' ' A' ' 43' ' ' MET . 2.0 mt-10 -138.85 123.26 18.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 1.5 mmm -122.44 105.28 10.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' TYR . 19.2 m -103.83 106.02 16.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -99.88 -1.55 37.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.594 1.184 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -23.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.198 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.2 mt -144.61 -61.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 162.34 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 47.7 m-85 -163.52 136.66 5.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CB ' ' A' ' 95' ' ' LEU . . . -136.58 95.24 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 112.1 20.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -116.52 134.67 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.445 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -90.24 149.75 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.715 HG11 HD11 ' A' ' 23' ' ' LEU . 9.8 m -153.4 120.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -113.23 133.3 55.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.802 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.9 m-85 -121.58 167.92 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 34' ' ' MET . 7.1 tp -103.08 17.52 23.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.902 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.21 -32.17 70.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 mtpp -38.63 -44.0 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.03 119.88 26.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.5 tt0 -66.31 -22.53 66.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -43.98 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.09 -19.75 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.12 -42.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -51.14 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.98 -52.8 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.53 -62.04 6.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -52.17 -35.52 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.94 -35.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.3 43.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.18 -19.63 64.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -84.29 -51.72 6.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 110.391 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.77 -33.59 68.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.42 13.4 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 44.0 p -56.57 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.04 -20.32 3.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.57 -43.49 55.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.748 HG22 ' CD ' ' A' ' 26' ' ' GLU . 16.4 pt -71.46 -38.48 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -67.49 -48.14 67.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m -70.18 -37.97 75.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 109.939 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 1.1 tt -62.74 -34.19 76.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 79' ' ' ILE . 6.6 mt -68.31 -59.0 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.26 -50.83 9.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -40.89 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.92 -31.58 69.96 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.48 1.113 . . . . 0.0 109.194 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.563 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -111.45 12.68 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 87' ' ' MET . 53.9 mtp180 22.62 75.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 89' ' ' LEU . 4.5 tp -112.43 -150.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.794 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.0 ptt180 -151.31 -44.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.0 HD12 ' HG3' ' A' ' 93' ' ' PRO . 2.2 pt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 90' ' ' ARG . 22.0 t 24.95 59.93 0.42 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 1.0 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 159.1 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.23 63.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.919 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -66.4 90.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.497 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -88.27 159.06 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.534 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.1 p90 -124.92 114.0 18.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.53 114.64 26.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.84 101.91 13.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.28 87.78 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -88.98 -172.14 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -89.63 13.96 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 110.014 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.712 HD22 HG11 ' A' ' 65' ' ' VAL . 2.0 tp -96.21 3.27 53.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 104' ' ' VAL . 6.7 t -136.57 10.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.714 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 1.8 mp0 -158.12 -38.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.04 -16.85 40.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.714 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -113.13 24.68 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.431 0.158 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.33 149.82 35.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -146.24 86.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.7 85.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 1.4 t80 -141.77 123.3 15.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.84 -26.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.554 1.158 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.45 178.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.417 0.716 . . . . 0.0 110.366 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 5.57 3.88 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.558 1.82 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.23 -38.74 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.24 -57.39 12.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.06 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.26 76.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.2 mm-40 -72.04 -65.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.1 -42.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.67 -39.1 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.665 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -63.75 -33.7 76.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.24 52.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.21 -45.54 73.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 110.237 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.9 pt -69.57 -47.27 72.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.46 -34.9 67.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.97 -59.28 3.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.9 mt -59.06 -24.16 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.8 tp -86.5 -15.99 38.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -110.59 -9.48 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.1 mpt_? -111.29 -59.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.883 ' OE2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.5 -11.67 58.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -89.91 179.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.39 72.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.572 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.11 -55.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.01 -8.82 20.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -84.2 -44.04 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.9 mp -73.36 -23.62 60.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 14.85 46.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -133.04 147.71 52.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 105.01 16.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 56' ' ' PHE . 75.6 p -63.85 151.26 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.569 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.68 86.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.214 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 28.68 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.5 137.39 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.665 HG11 ' HG3' ' A' ' 16' ' ' GLN . 11.6 p -150.46 133.28 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.443 0.731 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.05 121.08 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.662 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -122.2 104.88 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.8 m -109.88 106.07 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 91' ' ' ILE . 1.9 mpp_? -101.84 -6.17 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.45 -23.39 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -144.28 -71.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 171.14 73.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 27.1 m-85 -153.05 140.22 19.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -152.56 113.94 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 119.24 38.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.82 129.97 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.87 151.05 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -150.94 117.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.569 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -107.24 126.2 52.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.45 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.659 ' CD2' HG22 ' A' ' 36' ' ' THR . 3.8 m-85 -116.49 165.62 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.37 26.7 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.891 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -70.39 -31.08 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' LYS . 1.5 t70 -38.58 -43.3 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ASP . 1.8 mtmt -37.86 -42.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.93 116.9 20.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 103' ' ' LEU . 23.3 tt0 -66.95 -19.73 65.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -43.71 62.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -19.43 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.891 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.68 -43.67 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.72 -52.46 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -52.65 61.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.35 -61.65 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 99' ' ' TYR . 8.4 tt -55.86 -29.78 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -68.4 -32.35 72.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 74' ' ' GLU . . . -82.42 -45.94 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HG ' ' CE2' ' A' ' 97' ' ' PHE . 23.9 tp -54.89 -36.06 64.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.218 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 19.1 pt20 -77.03 -47.87 19.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 1.3 pt-20 -54.33 -20.95 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.27 17.2 21.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 48.0 t -55.48 -71.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.2 -21.02 0.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.0 -44.41 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.71 HG22 ' OE1' ' A' ' 26' ' ' GLU . 15.4 pt -70.36 -40.54 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp-105 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.213 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -71.04 -32.82 69.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.411 1.069 . . . . 0.0 110.01 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.883 HD13 ' OE2' ' A' ' 26' ' ' GLU . 2.5 tt -66.63 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 12.3 mt -69.56 -56.64 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -47.55 -50.3 19.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -69.75 -41.78 74.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.61 -30.92 70.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 88' ' ' ARG . 3.8 ttm -110.71 11.96 22.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.9 mtm180 23.53 76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.885 HD22 HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -123.74 -177.54 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -121.36 -40.61 2.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.525 1.14 . . . . 0.0 110.255 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.885 HG12 HD22 ' A' ' 89' ' ' LEU . 1.1 pt -38.36 -33.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 90' ' ' ARG . 37.1 t 24.93 58.3 0.39 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.739 ' CG ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.99 170.3 20.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -68.05 62.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -68.16 87.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.15 171.0 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 23.2 p90 -132.96 117.55 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.58 118.39 30.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -87.38 109.94 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 105' ' ' GLU . 1.1 t70 -115.81 86.5 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -93.32 -172.54 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.86 11.94 21.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 65' ' ' VAL . 1.1 tp -97.33 -1.36 44.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -131.27 -1.12 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.535 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 2.8 mt-10 -141.08 -39.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.58 -9.43 64.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.535 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -123.41 26.43 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 105' ' ' GLU . 4.2 mpt_? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.1 175.62 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' CB ' ' HG3' ' A' ' 13' ' ' GLN . 4.8 tptt -94.82 87.1 4.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.5 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -144.27 118.03 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -36.79 -28.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.622 1.201 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -59.36 177.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.13 5.42 4.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -36.01 47.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.53 -53.95 52.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.0 OUTLIER -65.62 -40.84 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.647 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.62 -40.24 78.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 16' ' ' GLN . 12.0 mm100 -71.18 -71.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.11 -32.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.931 ' O ' HG23 ' A' ' 19' ' ' ILE . 35.6 mtp -79.82 -43.05 23.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.779 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.9 tm0? -63.35 -35.74 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.95 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.68 -40.44 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 15' ' ' MET . 5.3 pt -75.46 -49.4 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -54.35 -33.71 59.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.063 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -70.79 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.58 ' CG2' HD23 ' A' ' 82' ' ' LEU . 43.0 mt -58.52 -25.1 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.4 tp -88.29 -15.95 34.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 31.9 mt-30 -109.19 -6.2 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 21' ' ' LEU . 27.5 mtp85 -115.59 -54.58 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -70.6 -15.62 62.77 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.4 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.29 74.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -94.47 -53.4 0.24 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.401 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.93 -30.53 7.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -70.09 -60.19 2.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -59.1 -27.55 65.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.88 41.1 8.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.508 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 11.8 mtt -146.62 -174.31 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.45 82.4 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.4 p -45.65 145.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.4 m -124.59 161.9 25.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.9 p -118.8 90.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.17 29.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.7 135.86 3.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.779 HG11 ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -144.62 121.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LYS . 24.6 mt-10 -133.96 95.2 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.647 ' HE1' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -104.01 102.61 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 111.102 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.457 ' O ' ' O ' ' A' ' 49' ' ' TYR . 3.1 m -113.73 105.49 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.598 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.27 -0.36 35.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.81 -22.26 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.12 -62.76 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.22 77.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.358 1.036 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 35.0 m-85 -157.59 137.7 12.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.996 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -145.52 95.22 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -90.26 104.01 16.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -102.79 152.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 14.6 t80 -107.6 153.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -155.72 121.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.12 121.8 40.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.0 m-85 -112.75 153.13 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . 18.1 tp -90.04 16.05 9.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.869 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -54.16 -28.36 39.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -39.49 -36.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -39.97 -47.6 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.24 122.68 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.3 tm-20 -67.3 -23.14 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -42.75 69.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -18.81 48.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.37 -44.2 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -74.85 -51.6 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.48 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.15 -60.91 7.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.407 1.067 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CD2' ' A' ' 99' ' ' TYR . 7.8 tt -55.29 -27.98 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -70.33 -33.42 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -74.11 -44.64 53.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 27' ' ' ILE . 2.0 tp -72.21 -19.75 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -45.8 24.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -71.26 -27.36 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -90.03 14.75 11.5 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -55.85 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.82 -18.23 4.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -76.01 -42.62 47.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.995 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 83' ' ' LEU . 14.5 pt -71.18 -39.36 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -66.23 -46.3 77.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -73.95 -33.35 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.58 HD23 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -65.61 -33.77 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 95' ' ' LEU . 4.8 mt -71.65 -57.02 4.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.32 -46.38 21.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -74.23 -41.47 61.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.18 -30.3 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.572 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.4 ttm -112.42 12.34 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 87' ' ' MET . 8.4 mtt85 22.72 76.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.8 tp -114.5 -151.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -149.92 -43.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.885 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -39.81 -29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.1 t 25.51 59.42 0.45 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.885 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.96 167.01 28.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.541 1.811 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -67.84 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.996 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.79 86.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.63 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -89.01 168.26 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.741 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 11.2 p90 -131.04 113.4 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.741 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.02 99.78 12.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.76 87.09 2.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.68 -171.02 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.83 12.77 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.046 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -93.41 1.89 56.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -133.96 1.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.512 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.9 mt-10 -145.92 -36.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 92.28 -34.05 4.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.512 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -136.43 26.79 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 0.734 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.423 ' HA ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.585 0.231 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.59 127.54 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -148.28 86.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -92.88 86.58 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -143.07 134.3 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.73 -24.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.435 1.085 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.23 178.52 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.6 Cg_endo -75.01 5.02 4.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -78.4 -40.64 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.63 -61.12 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -42.77 43.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.408 1.067 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -61.02 -36.96 80.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 21.2 mm-40 -71.04 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -41.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.956 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.54 -39.74 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.826 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -64.31 -34.05 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.65 -40.26 56.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 8.0 tp10 -68.25 -41.11 81.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.956 HG23 ' O ' ' A' ' 15' ' ' MET . 4.1 pt -74.29 -44.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.32 -35.02 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.47 -59.99 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.816 HG21 HD22 ' A' ' 82' ' ' LEU . 69.3 mt -58.78 -20.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -86.66 -18.05 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.34 -7.43 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.65 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.58 -20.69 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.026 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -80.93 175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.626 ' HZ3' ' HA ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.0 72.14 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.566 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -88.04 -48.35 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -75.06 -14.56 20.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.388 1.731 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -83.68 -49.12 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.578 HD23 HD22 ' A' ' 58' ' ' ASN . 2.2 mp -70.7 -23.52 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 84.31 34.1 18.13 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -137.87 167.06 22.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 0.776 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ttp -115.7 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 ' CD1' ' A' ' 56' ' ' PHE . 63.3 p -38.82 158.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.7 m -138.67 165.22 27.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 37' ' ' THR . 71.1 t -124.61 83.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.18 22.56 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.1 136.47 3.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.826 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.4 p -151.71 136.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -148.12 134.76 19.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.214 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -134.19 108.43 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -105.2 107.24 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.488 ' HG2' HD13 ' A' ' 91' ' ' ILE . 1.8 mpp_? -101.36 -4.42 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -50.25 -22.77 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.88 -66.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.58 60.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.1 m-85 -146.82 130.19 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.33 156.34 48.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 112.53 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 19' ' ' ILE . 2.0 p -109.91 123.19 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.424 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.813 HG11 HD11 ' A' ' 23' ' ' LEU . 6.5 m -152.16 119.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.634 1.209 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -109.88 130.72 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.721 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.4 m-85 -119.38 169.41 10.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tp -109.3 27.59 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.194 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.867 ' HB3' HG23 ' A' ' 65' ' ' VAL . 3.2 m-20 -71.79 -29.2 64.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' LYS . 2.1 t70 -39.32 -43.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.6 mttt -37.73 -43.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.46 117.42 22.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 tt0 -66.69 -20.37 65.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.226 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -43.57 64.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.06 -19.89 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.182 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.14 -39.93 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -52.35 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.9 71.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.95 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.1 tt -53.73 -34.2 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.47 80.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.09 -40.07 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.026 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -72.66 -19.33 61.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -47.99 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.3 pt-20 -68.88 -30.63 69.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.28 18.54 6.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.1 t -63.1 -74.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.91 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.5 -19.06 2.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.33 -44.51 44.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.724 . . . . 0.0 111.07 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.1 pt -68.69 -37.82 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 83' ' ' LEU . 6.4 ttt-85 -66.87 -45.76 77.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -70.78 -34.85 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.841 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.3 tt -64.48 -37.63 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -66.72 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -41.42 -52.63 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.628 1.205 . . . . 0.0 111.047 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -67.26 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 0.807 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.09 -33.59 71.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.8 ptp -110.51 12.32 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 3.3 mtt180 22.9 74.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.751 HD23 ' CG1' ' A' ' 91' ' ' ILE . 2.5 tp -112.08 -152.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 92' ' ' VAL . 28.4 ptt180 -146.26 -45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.3 pt -40.65 -29.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.588 ' C ' ' O ' ' A' ' 91' ' ' ILE . 48.7 t 23.4 61.08 0.36 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.04 159.36 41.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -68.2 59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -69.49 87.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 52' ' ' VAL . 2.7 t -79.97 165.94 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 14.2 p90 -124.94 108.91 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.05 114.15 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.92 100.81 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 0.0 111.048 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 91.75 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.442 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.5 OUTLIER -93.24 -174.54 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.434 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -85.84 12.66 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.923 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.506 HD22 HG11 ' A' ' 65' ' ' VAL . 2.8 tp -95.3 0.49 53.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 104' ' ' VAL . 27.7 t -140.05 7.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.518 ' CB ' ' HE2' ' A' ' 107' ' ' MET . 4.3 mm-40 -148.45 -37.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.68 -39.21 3.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE2' ' CB ' ' A' ' 105' ' ' GLU . 1.2 ptp -87.31 15.32 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 10.0 mmt-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.4 0.143 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.32 -171.66 2.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 19.4 tptp -133.94 87.35 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.26 85.12 7.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.606 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 2.0 t80 -137.65 128.46 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' PHE . . . -37.07 -28.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 3.1 mtt-85 -56.1 178.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.576 0.809 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -75.04 4.92 4.33 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.16 -38.53 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -59.79 -42.5 93.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -34.23 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.05 92.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.2 mm100 -69.34 -65.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.255 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -42.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.954 ' O ' HG23 ' A' ' 19' ' ' ILE . 90.8 mtp -74.86 -37.08 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.875 ' CG ' HG21 ' A' ' 41' ' ' VAL . 1.9 tm0? -64.54 -36.06 83.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 pttt -77.5 -37.8 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.3 tp10 -68.12 -43.82 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.954 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -74.01 -43.15 52.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.8 -33.71 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -71.57 -56.67 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 76.2 mt -58.89 -23.62 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 HG11 ' A' ' 54' ' ' VAL . 12.6 tp -86.61 -15.24 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -110.99 -9.04 14.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 11.5 mmt180 -113.63 -59.06 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.877 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.59 -19.56 65.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -81.7 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.95 71.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.86 -51.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -74.96 -6.21 17.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.45 -15.25 19.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.648 1.218 . . . . 0.0 110.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.53 HD22 HD22 ' A' ' 58' ' ' ASN . 22.1 mt -88.24 -24.74 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 90.66 23.16 31.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.405 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.0 mpp? -153.07 175.02 13.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.49 125.97 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.727 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.3 p -88.27 168.21 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -143.63 166.28 25.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 38' ' ' VAL . 8.9 p -126.56 86.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.39 28.79 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.045 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . . . 177.35 138.94 3.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.932 HG22 HG23 ' A' ' 52' ' ' VAL . 3.2 t -151.69 148.47 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.595 0.821 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.8 mt-10 -155.29 131.95 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -135.22 107.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.767 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -106.24 107.23 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.847 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.55 -0.46 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.48 -15.75 40.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.36 -70.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.5 56.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.767 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -152.09 130.41 12.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -139.25 151.31 46.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -133.95 122.37 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.932 HG23 HG22 ' A' ' 41' ' ' VAL . 1.9 p -118.02 127.64 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -85.05 144.21 28.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.765 HG11 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.41 118.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.57 129.7 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 36' ' ' THR . 4.8 m-85 -118.87 167.09 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.05 16.0 25.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' A' ' 65' ' ' VAL . 5.0 m-20 -60.28 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -38.12 -43.57 0.76 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.8 mtpt -39.31 -41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.76 118.62 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -67.84 -19.8 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -43.75 55.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.47 49.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.63 -42.68 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -72.07 -58.2 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.54 44.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.61 5.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.221 HD11 ' CD1' ' A' ' 99' ' ' TYR . 4.4 tt -57.73 -28.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -68.58 -29.88 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.58 -41.53 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 27' ' ' ILE . 69.0 mt -65.41 -29.88 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -79.03 -48.02 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -63.66 -20.57 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.83 20.1 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 71.4 m -54.51 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.06 -23.15 1.03 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -72.47 -44.92 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 111.046 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.749 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.5 pt -71.91 -40.87 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 83' ' ' LEU . 1.7 ttp85 -66.69 -48.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.5 t -69.29 -34.14 74.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.877 HD22 ' HG2' ' A' ' 26' ' ' GLU . 6.5 tt -65.0 -34.81 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.1 mt -69.23 -58.15 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.94 -51.01 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -69.07 -41.23 77.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.47 -31.13 70.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.0 ttm -110.9 11.43 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' C ' ' O ' ' A' ' 87' ' ' MET . 29.7 mtt85 23.61 76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.295 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.1 tp -116.41 -153.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.8 ttt180 -145.76 -45.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.847 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.2 pt -42.3 -31.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 90' ' ' ARG . 26.1 t 24.59 60.24 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.182 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.789 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.6 Cg_endo -74.94 160.95 39.71 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 50' ' ' ALA . 2.4 tt0 -66.46 59.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -68.41 90.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 52' ' ' VAL . 1.2 t -90.46 163.04 14.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 79' ' ' ILE . 21.1 p90 -122.38 112.5 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.92 115.2 27.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 1.221 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -83.81 104.69 14.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -108.63 87.53 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 3.9 m-20 -94.58 -175.06 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.453 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -83.24 10.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.592 HD22 HG11 ' A' ' 65' ' ' VAL . 1.5 tp -93.1 2.58 56.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.62 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.4 t -138.09 9.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.821 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 6.2 mt-10 -155.14 -37.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.86 -35.21 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.821 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.1 ptp -90.03 10.49 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.453 ' C ' ' OG ' ' A' ' 102' ' ' SER . 12.6 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -84.67 -38.32 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -63.25 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.09 -41.01 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.7 -36.13 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.512 ' N ' ' NE2' ' A' ' 13' ' ' GLN . 1.2 mm-40 -69.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.83 -38.39 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.08 -39.2 60.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.95 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.4 tm0? -64.91 -35.65 81.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.91 -38.14 58.04 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.6 tp10 -68.45 -43.36 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -74.26 -36.65 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -63.06 -34.82 78.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.621 1.201 . . . . 0.0 109.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -71.96 -59.1 2.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.627 HG23 ' HB3' ' A' ' 26' ' ' GLU . 14.7 mt -60.88 -19.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.043 HD21 ' CG1' ' A' ' 54' ' ' VAL . 7.3 tt -85.07 -19.27 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 3.8 mt-30 -111.95 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.0 mtm180 -109.04 -62.08 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.627 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.71 -21.16 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -78.4 179.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.85 73.12 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.87 -45.48 0.68 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -74.98 -21.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -81.51 -15.85 53.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 1.7 mp -110.59 14.55 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.94 37.41 0.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 76.6 mtm -150.51 155.35 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 128.83 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -91.61 165.46 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.537 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -135.23 164.77 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 37' ' ' THR . 69.0 t -127.02 80.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.29 33.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.51 136.67 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.95 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.0 mm-40 -142.52 127.27 18.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.627 ' CE ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.75 106.95 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.747 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.24 107.91 17.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.866 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.61 -5.58 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.88 -18.79 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.89 -71.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.67 61.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.747 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -155.88 133.96 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.841 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -139.75 164.95 28.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.76 113.66 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 96' ' ' THR . 9.9 p -108.68 145.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -112.64 141.4 46.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.043 ' CG1' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.77 122.92 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.3 OUTLIER -110.41 131.08 55.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.098 . . . . 0.0 110.44 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.1 m-85 -123.23 168.13 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.77 17.41 24.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.884 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -57.58 -27.66 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 102' ' ' SER . 5.8 t70 -41.37 -35.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -41.33 -43.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.59 120.42 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -66.94 -18.44 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -39.88 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.93 -24.02 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.884 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -76.45 -42.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 69' ' ' ILE . 53.3 tttt -71.7 -56.2 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.76 -53.7 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.44 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -48.05 -61.84 4.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CD2' ' A' ' 99' ' ' TYR . 5.7 tt -52.36 -36.98 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.381 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.39 -35.75 76.48 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.16 68.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 27' ' ' ILE . 16.4 tp -73.17 -24.12 60.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.56 -44.8 41.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -68.94 -33.48 73.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.63 10.47 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 35.4 t -55.12 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.37 -19.22 4.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.17 -43.06 54.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 ' CE1' ' A' ' 97' ' ' PHE . 15.6 pt -71.71 -38.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -67.2 -46.68 73.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 t -71.72 -36.89 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -64.5 -33.04 74.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 79' ' ' ILE . 13.5 mt -70.76 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.58 8.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.36 -40.05 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.54 -32.34 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -112.42 14.5 20.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 83.3 mtt180 22.42 78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.4 tp -119.25 -150.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.6 ptt-85 -148.12 -44.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.866 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -37.37 -36.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.1 t 23.75 60.12 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.99 157.2 42.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.26 66.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.841 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -72.8 90.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.7 t -68.41 161.65 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.37 103.55 10.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.057 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -92.35 121.36 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.91 103.33 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 1.5 t0 -105.31 87.88 2.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.87 -170.69 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.4 15.7 11.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.562 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -101.1 2.44 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.1 t -132.21 3.15 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 21.0 mt-10 -150.13 -38.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.37 -5.16 78.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -123.7 25.71 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 111.011 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' OE2' ' A' ' 105' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -78.51 -37.13 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -60.95 -59.08 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 15' ' ' MET . 45.2 t -54.76 -44.53 71.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.39 88.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.79 -70.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.19 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 15' ' ' MET . 7.8 pt-20 -38.73 -37.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.85 -42.86 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.601 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 tm0? -64.2 -35.3 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.54 -39.64 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.77 -41.3 83.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.212 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -76.69 -38.54 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -59.04 -35.78 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -74.99 -59.41 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' GLU . 68.4 mt -57.74 -21.01 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.052 HD11 ' CG1' ' A' ' 54' ' ' VAL . 10.3 tt -87.66 -16.59 33.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -114.52 -61.46 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.767 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.85 -19.03 65.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.795 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.79 175.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.79 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.68 72.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.229 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.63 -46.24 0.61 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.9 -10.72 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -87.27 -25.8 23.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 28' ' ' LYS . 1.7 mm? -84.98 -22.7 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.91 21.18 58.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 34.3 mtm -146.07 151.79 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 ttp -88.66 101.17 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 56' ' ' PHE . 38.6 p -60.72 169.8 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.628 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -145.42 162.99 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 69.0 t -127.88 85.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 13.57 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.41 124.44 1.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 16' ' ' GLN . 38.3 t -148.29 128.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 0.805 . . . . 0.0 109.366 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' SD ' ' A' ' 43' ' ' MET . 5.5 mt-10 -140.42 129.05 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 2.0 mmm -127.75 107.18 9.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -111.8 106.2 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.077 . . . . 0.0 110.05 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.736 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.52 -3.74 27.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -48.27 -23.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -148.26 -63.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.03 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 18.8 m-85 -152.38 140.05 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.883 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -150.24 147.88 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -128.47 107.76 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.818 HG21 HD21 ' A' ' 95' ' ' LEU . 2.9 t -104.53 114.92 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.216 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -91.07 153.32 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 111.045 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.052 ' CG1' HD11 ' A' ' 23' ' ' LEU . 2.7 m -153.34 122.8 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.628 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.91 133.61 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.416 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 5.0 m-85 -128.83 158.07 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' C ' ' SD ' ' A' ' 34' ' ' MET . 8.5 tp -90.62 11.45 22.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.871 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -52.24 -27.7 15.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 102' ' ' SER . 0.6 OUTLIER -40.18 -41.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.63 -42.55 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.98 117.34 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 23.4 tt0 -67.41 -19.43 65.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -43.63 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.86 -19.44 44.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.871 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.79 -44.16 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.4 tmtm? -74.26 -53.47 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.56 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.97 -61.89 6.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.689 HD11 ' HB2' ' A' ' 99' ' ' TYR . 5.3 tt -55.45 -31.82 28.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 7.0 tttm -66.44 -33.22 75.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.04 -42.05 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.02 -24.73 65.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -79.08 -49.86 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -59.99 -30.11 68.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -89.02 13.63 12.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.469 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.6 m -54.57 -72.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.58 -19.85 3.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.428 1.08 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.18 -43.49 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.393 0.702 . . . . 0.0 110.931 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' CE2' ' A' ' 97' ' ' PHE . 17.6 pt -70.51 -39.43 76.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -67.77 -46.28 72.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.197 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.1 t -72.27 -33.61 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.767 HD22 ' HG2' ' A' ' 26' ' ' GLU . 3.7 tt -66.14 -34.22 77.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' MET . 30.7 mt -71.41 -53.28 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.196 . . . . 0.0 109.306 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.55 -46.49 37.55 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -42.09 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.97 -30.52 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttm -113.67 13.14 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 87' ' ' MET . 12.4 mtm180 23.06 79.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.5 tp -120.47 -158.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 8.8 mtt180 -141.89 -42.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.736 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.98 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 95.8 t 24.14 59.71 0.38 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.708 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.1 163.75 34.53 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.04 66.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.883 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -70.32 87.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 51' ' ' LYS . 1.5 t -72.56 172.92 9.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -130.53 111.56 12.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -104.71 119.93 40.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -97.24 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -108.93 92.29 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 8.8 p30 -98.04 -173.13 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 7.6 t -89.62 14.38 11.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 110.057 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -99.2 1.77 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -128.02 -3.51 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.536 ' O ' ' CE ' ' A' ' 107' ' ' MET . 5.1 mt-10 -142.63 -42.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.45 ' C ' ' OG ' ' A' ' 102' ' ' SER . . . 91.05 19.75 41.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -156.11 33.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.927 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -85.97 -32.34 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.18 -50.42 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.78 -39.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.89 93.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.9 -65.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -41.58 -38.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 110.325 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.968 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.8 mtt -77.65 -36.07 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.6 tm0? -66.88 -34.67 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.6 pttt -77.14 -39.85 47.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -67.33 -43.65 81.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.968 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -73.31 -40.8 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -58.9 -35.64 73.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.85 -62.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 26' ' ' GLU . 59.1 mt -58.71 -19.82 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 54' ' ' VAL . 8.7 tt -86.3 -17.09 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -112.21 -13.02 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -107.02 -64.13 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.6 -15.28 57.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -84.58 179.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.42 72.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.598 1.186 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.538 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.89 -54.5 0.3 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.84 18.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.06 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.6 -31.13 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.84 77.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 30.1 mtm -145.35 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.06 150.12 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' CD2' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -112.02 172.16 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -134.43 167.47 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 37' ' ' THR . 4.5 t -122.33 74.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.13 7.93 12.22 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.76 128.18 2.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.999 HG11 ' HG3' ' A' ' 16' ' ' GLN . 1.2 p -147.92 123.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.79 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -133.11 126.42 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.701 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -130.4 105.54 7.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.783 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.19 105.36 14.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.82 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.1 -2.33 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.616 1.198 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -15.24 26.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.66 -71.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.23 58.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.783 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.8 p90 -154.05 132.09 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.751 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.97 162.18 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.75 99.97 3.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.359 1.037 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.83 128.25 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -97.02 152.45 18.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -153.19 127.29 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.29 129.37 56.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 m-85 -121.81 166.28 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -99.54 13.24 34.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.87 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.0 -21.04 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 3.7 t70 -47.67 -38.97 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.1 mtmt -40.02 -42.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.16 118.22 22.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' HG3' HD11 ' A' ' 103' ' ' LEU . 5.2 tt0 -67.17 -19.28 65.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -41.5 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.05 41.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.64 -42.76 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 4.7 ptmt -72.65 -55.11 7.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.332 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 66' ' ' LYS . . . -63.48 -53.33 53.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.21 5.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.859 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -52.81 -32.41 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -63.97 -35.23 80.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.71 -38.23 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 27' ' ' ILE . 11.3 tp -71.75 -22.63 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -78.17 -46.74 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -67.16 -31.08 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -87.48 12.94 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.8 m -56.65 -74.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.52 -18.76 3.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.93 -42.29 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 97' ' ' PHE . 16.6 pt -72.54 -38.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 95' ' ' LEU . 4.9 ttp180 -67.58 -45.68 74.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.621 ' CB ' HH21 ' A' ' 80' ' ' ARG . 3.1 t -73.67 -36.92 65.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' CD ' ' A' ' 26' ' ' GLU . 7.7 tt -62.69 -37.71 87.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -69.15 -62.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.96 -41.08 3.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -79.52 -38.09 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.84 70.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 8.8 mtt -116.61 16.07 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.1 mtt85 22.34 77.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.555 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.7 tp -116.6 -148.68 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.59 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -153.05 -43.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.48 -34.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 91' ' ' ILE . 40.9 t 23.42 60.44 0.36 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.92 155.95 43.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.17 64.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -69.96 90.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.5 t -68.02 162.24 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.4 105.98 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -95.87 120.44 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 111.047 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.859 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.44 91.11 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.933 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.416 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 4.8 t0 -94.06 86.77 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -91.68 -172.35 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -89.14 12.27 16.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.914 HD22 HG11 ' A' ' 65' ' ' VAL . 2.7 tp -94.37 4.0 54.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 104' ' ' VAL . 41.9 t -134.49 10.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 5.6 mt-10 -160.55 -39.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.01 -32.4 4.64 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -75.64 0.04 18.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.431 ' C ' ' OG ' ' A' ' 102' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 O-C-N 124.472 1.107 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.58 -34.44 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -52.35 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -38.86 81.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -59.74 -37.93 80.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 16.8 mm-40 -70.56 -66.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -38.65 -41.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.949 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.8 -40.52 63.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.945 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.6 tm0? -62.05 -34.47 76.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -40.27 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.12 -43.12 83.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 15' ' ' MET . 4.0 pt -74.52 -39.43 47.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -57.73 -36.91 72.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -72.14 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 21.2 mt -58.65 -20.43 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 HG11 ' A' ' 54' ' ' VAL . 8.5 tt -88.14 -16.1 34.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.07 -5.33 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.223 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -116.28 -39.91 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.686 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -94.68 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.61 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.49 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.57 72.69 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.55 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -95.18 -54.75 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.62 1.2 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.07 -23.57 13.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' CD1' ' A' ' 32' ' ' LEU . 14.4 ttt180 -77.59 -42.0 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -87.41 10.74 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.82 55.53 1.09 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.641 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 14.4 mtm -150.82 177.47 10.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 0.715 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.15 83.93 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.582 1.176 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.634 HG22 ' CD2' ' A' ' 56' ' ' PHE . 45.1 p -53.02 156.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.594 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.9 m -133.4 162.43 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.26 79.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.67 23.73 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.01 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.28 133.59 2.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.606 1.191 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.945 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -150.83 132.83 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 20.5 mt-10 -139.66 126.92 21.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -131.95 106.66 8.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.749 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -111.37 107.45 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.865 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -99.83 -6.09 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.41 -19.7 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.06 -70.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.8 63.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.231 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.749 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 52.2 p90 -156.7 130.89 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.7 163.67 30.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.741 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -142.31 104.0 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -102.41 124.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.487 ' O ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -89.3 151.88 21.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.373 1.046 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.94 HG11 HD11 ' A' ' 23' ' ' LEU . 1.3 m -153.73 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.62 1.2 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.594 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.71 136.47 52.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.634 ' CD2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -130.67 159.45 37.19 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.83 16.78 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.861 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 1.1 t70 -40.24 -41.37 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 2.6 mtmt -39.9 -43.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.64 118.82 24.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.0 tt0 -67.32 -21.15 65.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -44.13 66.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.374 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.19 -19.35 47.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.861 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.18 -41.75 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.6 1.187 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 10.6 tttm -75.84 -50.18 15.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.76 61.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.34 -60.67 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.3 tt -55.85 -37.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.335 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 5.7 ttpp -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 56' ' ' PHE . 21.3 mt -72.78 -25.91 61.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -51.92 9.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -63.19 -31.93 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.242 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.0 15.74 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.2 t -55.25 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.59 -19.23 4.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.54 -43.29 49.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 0.777 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.0 pt -71.32 -39.78 72.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.864 ' HA ' HD11 ' A' ' 95' ' ' LEU . 33.0 ttp85 -66.61 -46.92 74.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.7 t -71.18 -38.91 72.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.686 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.7 tt -60.47 -37.33 80.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.227 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 79' ' ' ILE . 6.6 mp -68.45 -59.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.68 -41.3 5.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -78.67 -39.85 35.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 0.708 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.94 -30.98 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.9 mtm -113.52 15.41 19.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.0 mtm180 22.2 83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.669 HD23 ' CG1' ' A' ' 91' ' ' ILE . 5.7 tp -126.58 -148.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -155.19 -41.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.865 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.78 -34.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.602 ' C ' ' O ' ' A' ' 91' ' ' ILE . 94.3 t 23.59 60.21 0.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.67 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.95 157.56 42.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.9 65.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -69.16 91.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.7 t -68.03 161.56 26.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.6 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.49 104.65 11.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.989 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.453 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -93.15 119.83 32.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.6 93.01 5.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 5.4 t0 -98.43 87.89 3.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.411 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -95.31 -173.05 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -87.23 16.2 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.945 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -98.8 2.2 46.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.59 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.3 t -135.11 6.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.568 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 0.5 OUTLIER -154.29 -40.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.18 -20.78 31.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.568 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.0 mtm -103.05 17.02 25.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 6.1 mmt180 . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.355 1.035 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.926 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -85.44 -26.12 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -70.98 -49.72 42.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.232 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -61.71 -41.41 97.58 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -69.12 -63.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -45.18 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.967 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -72.73 -38.91 67.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.906 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.64 -33.29 74.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -76.28 -42.66 44.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.22 -41.99 89.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -73.97 -44.21 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -53.57 -38.17 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.13 -56.8 5.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 69.6 mt -58.31 -22.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.776 HD21 ' CE1' ' A' ' 97' ' ' PHE . 7.1 tp -87.67 -16.09 35.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 1.8 mt-30 -110.08 -7.85 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.86 -56.84 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.4 -11.25 60.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.95 179.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.676 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.25 69.59 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.84 -50.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -75.03 -1.35 11.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.668 ' HD3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.52 -34.92 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 31' ' ' ARG . 4.3 mp -77.56 -20.39 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.26 55.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -126.01 165.38 18.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.71 80.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.5 p -45.42 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.605 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.6 m -148.33 163.72 36.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.16 80.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 33.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.14 135.51 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.362 1.039 . . . . 0.0 110.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -155.06 132.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.759 . . . . 0.0 109.36 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.2 mm-40 -139.27 127.34 22.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.2 107.8 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.725 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -108.38 107.83 18.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.48 -3.28 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -16.63 29.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -143.92 -72.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.05 62.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.725 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 49.9 p90 -158.86 137.55 11.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.128 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.884 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.75 162.66 34.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.55 108.02 4.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.681 HG22 HG23 ' A' ' 41' ' ' VAL . 3.7 t -105.13 150.06 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -111.97 144.04 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.155 HG21 ' CE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -143.66 118.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.605 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -110.12 129.55 55.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.916 ' CE2' HD13 ' A' ' 72' ' ' LEU . 6.5 m-85 -119.74 169.32 10.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.12 21.1 17.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.837 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.07 -28.55 69.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 13.8 t70 -38.62 -42.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -38.75 -42.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 117.24 21.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.1 tt0 -66.85 -19.3 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -42.49 57.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.51 -20.53 43.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.58 -42.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 69' ' ' ILE . 1.9 tttm -72.94 -56.49 5.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -53.44 54.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' ALA . . . -49.86 -61.41 5.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 5.8 tt -53.48 -30.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -68.34 -34.38 76.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.34 -45.06 23.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.25 -19.77 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 41.2 mt-30 -80.05 -51.88 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -84.56 5.1 29.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 79' ' ' ILE . 26.2 m -52.45 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.04 -20.4 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -74.72 -44.06 51.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.903 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -70.98 -37.65 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.6 -46.09 70.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 m -73.63 -35.32 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 26' ' ' GLU . 5.6 tt -65.25 -34.37 78.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 79' ' ' ILE . 7.5 mp -69.94 -62.03 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.29 -47.46 6.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.56 -41.49 65.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.19 -33.75 72.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.7 ptp -110.74 12.29 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.584 ' C ' ' O ' ' A' ' 87' ' ' MET . 10.4 mtm180 23.45 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tp -125.87 -153.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.728 ' HE ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -145.24 -44.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.728 HG23 ' HE ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -37.58 -37.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 47.4 t 24.25 60.03 0.39 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD3' HD12 ' A' ' 91' ' ' ILE . 18.1 Cg_endo -74.99 155.13 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.76 66.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.214 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.884 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.33 89.3 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 51' ' ' LYS . 3.8 t -67.7 166.24 15.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 1.155 ' CE2' HG21 ' A' ' 54' ' ' VAL . 1.7 t80 -122.71 113.03 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -98.88 112.22 24.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -86.77 104.63 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.45 86.11 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -94.62 -173.18 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.03 15.82 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -102.29 5.48 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -132.67 5.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 42.3 mt-10 -155.93 -37.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.04 -3.57 87.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.597 1.185 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.552 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 mtm -124.75 25.31 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.506 ' CD ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.901 -0.461 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 tp60 -77.73 -39.39 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -58.19 -52.08 67.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -39.65 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.78 89.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -70.84 -65.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.228 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -38.62 -44.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 0.0 110.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 1.005 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.01 -39.99 65.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.683 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -61.69 -33.2 73.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -41.13 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -67.47 -37.52 83.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.005 HG23 ' O ' ' A' ' 15' ' ' MET . 4.9 pt -75.86 -44.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' GLN . . . -57.05 -34.5 68.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.09 -57.61 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 57.5 mt -57.49 -24.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 11.8 tp -87.12 -14.59 40.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -109.96 -7.66 14.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -114.86 -50.52 2.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -76.81 -11.53 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.3 178.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.65 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -104.08 72.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.499 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.17 -52.88 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.0 0.75 8.53 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 8.2 ttt180 -90.16 -31.59 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.86 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.6 mp -81.84 -24.44 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.77 21.27 40.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mpp? -143.08 152.39 41.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 0.763 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpp -91.61 117.74 30.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -80.46 158.01 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -133.07 168.39 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' CG2' ' A' ' 37' ' ' THR . 49.0 t -132.67 91.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.36 18.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.36 131.34 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.5 p -143.14 127.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.46 122.68 28.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.616 ' CE ' HD13 ' A' ' 19' ' ' ILE . 2.7 mmm -129.93 104.43 7.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -109.95 105.08 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -103.17 -4.97 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -52.59 -20.82 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.183 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -147.68 -70.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.54 62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.6 m-85 -147.84 144.26 28.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.786 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -158.21 163.35 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HB3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -150.19 109.08 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 95' ' ' LEU . 4.2 p -104.73 131.06 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -101.54 144.12 30.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -144.46 122.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.563 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.91 130.86 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -123.63 163.7 20.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.25 16.19 17.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.862 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -58.04 -30.86 66.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -38.89 -42.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.7 mtmt -39.05 -42.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.48 117.25 21.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 65' ' ' VAL . 43.7 tt0 -66.89 -20.1 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -42.91 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.5 -20.12 44.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.73 -42.47 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.69 -52.92 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.71 -53.11 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.79 -61.46 6.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 99' ' ' TYR . 5.1 tt -56.39 -29.41 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 25.8 mttt -67.55 -33.4 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.16 -41.2 29.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -70.27 -23.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.16 -52.0 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.42 -29.69 70.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.883 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -93.53 12.55 24.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 79' ' ' ILE . 12.7 m -56.27 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.34 -24.86 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.41 -43.99 68.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 110.943 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -66.42 -39.67 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.666 HH21 ' HA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -62.57 -43.22 99.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -76.06 -30.97 58.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -61.32 -45.31 94.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.715 HD23 HG22 ' A' ' 19' ' ' ILE . 9.4 mp -69.76 -48.44 59.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.936 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -52.09 -44.81 57.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.607 1.192 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -77.6 -42.3 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.5 -31.08 70.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.581 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.5 ttm -119.0 20.14 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.581 ' C ' ' O ' ' A' ' 87' ' ' MET . 27.7 mtp180 23.22 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.936 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -125.28 167.69 14.54 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' ILE . 3.8 ptt-85 -116.69 -40.66 3.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.958 HD13 ' CD ' ' A' ' 45' ' ' ARG . 1.6 pt -39.15 -32.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 92' ' ' VAL . 75.1 t 23.68 59.4 0.35 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.896 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.7 Cg_endo -74.89 153.22 42.2 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.591 1.837 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.666 ' HA ' HH21 ' A' ' 80' ' ' ARG . 5.0 tt0 -67.31 69.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.786 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -71.0 89.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' HB3' ' A' ' 51' ' ' LYS . 1.3 t -67.18 165.9 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -118.87 112.87 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -106.16 115.46 30.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.581 ' CG ' HD11 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -93.53 110.32 21.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -112.56 88.11 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -98.76 -173.58 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.22 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 102' ' ' SER . 1.2 t -89.6 15.4 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.69 HD22 HG11 ' A' ' 65' ' ' VAL . 1.3 tp -99.88 3.1 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.7 t -130.27 -0.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 9.4 mt-10 -147.51 -41.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.49 9.41 72.39 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.4 OUTLIER -135.83 14.36 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.501 ' CD ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.943 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -39.99 42.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -44.49 87.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' MET . 30.7 t -74.89 -34.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.404 1.065 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.529 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 5.4 mm100 -66.82 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.97 -42.03 1.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.907 ' O ' HG23 ' A' ' 19' ' ' ILE . 13.5 mtp -75.58 -36.79 60.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.643 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tt0 -64.06 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -77.15 -42.92 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.8 -41.28 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.907 HG23 ' O ' ' A' ' 15' ' ' MET . 5.4 pt -73.37 -49.27 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -52.59 -36.27 55.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -69.43 -60.67 2.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 83' ' ' LEU . 44.4 mt -57.64 -21.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 13.7 tp -87.35 -17.17 33.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 6.4 mt-30 -111.65 -6.72 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.55 -57.65 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.632 1.208 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.815 ' OE2' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.54 -18.24 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.971 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.2 178.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.638 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.19 72.37 1.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.26 -49.87 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -74.91 -14.73 21.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.558 1.82 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -80.32 -42.62 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.168 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 28' ' ' LYS . 8.5 mt -71.23 -24.1 62.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 85.66 28.95 28.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.8 mpp? -145.35 172.22 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 ttm -115.96 105.15 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.667 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.2 p -72.37 158.1 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.0 m -135.07 161.97 33.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.63 88.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 22.77 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -174.11 138.63 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -149.84 124.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -139.07 136.7 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.474 ' CE ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.18 106.26 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -103.97 106.93 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.892 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' CG ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.58 -8.07 23.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.205 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.655 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.28 -23.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.228 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -144.03 -72.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.64 60.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 4.0 m-85 -147.53 130.86 16.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -136.15 159.8 40.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.402 1.064 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -141.81 115.62 9.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -114.17 119.63 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' C ' HG22 ' A' ' 54' ' ' VAL . 28.7 t80 -85.28 153.9 22.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.628 1.205 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -158.01 130.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.11 130.57 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.372 1.045 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.1 m-85 -120.86 159.8 24.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 111.065 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.43 28.25 7.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.86 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -68.14 -24.96 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 2.7 t70 -43.0 -39.29 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.38 -43.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.6 118.62 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.6 tt0 -67.01 -19.59 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -41.73 60.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.29 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -77.16 -41.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -50.37 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.41 -50.48 59.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.98 -61.28 7.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.834 HD11 ' HD2' ' A' ' 99' ' ' TYR . 1.5 tt -53.26 -38.37 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -33.86 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.6 -41.36 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.971 HD11 HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -66.68 -20.44 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -49.79 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -61.0 -28.0 68.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -95.9 16.08 18.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 28.5 p -55.17 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.27 -20.15 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -73.46 -46.76 46.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 111.001 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.566 HG22 ' OE1' ' A' ' 26' ' ' GLU . 14.4 pt -66.27 -39.98 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 83' ' ' LEU . 18.5 ttp180 -62.5 -45.08 94.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -27.36 61.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.815 HD23 ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.9 -43.21 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -67.68 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.383 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.749 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -43.3 -44.26 6.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -76.16 -38.96 56.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' CB ' HD13 ' A' ' 22' ' ' ILE . . . -59.71 -32.07 70.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.212 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.576 ' O ' ' C ' ' A' ' 88' ' ' ARG . 10.6 ptp -121.95 21.62 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.576 ' C ' ' O ' ' A' ' 87' ' ' MET . 0.2 OUTLIER 22.85 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.749 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -118.23 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -119.94 -43.18 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.6 pt -40.75 -29.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' ARG . 59.2 t 24.64 59.31 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.992 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -75.06 158.26 42.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.52 61.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.815 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -68.99 87.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 51' ' ' LYS . 5.0 t -71.96 165.09 24.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.841 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 15.5 p90 -123.69 109.56 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.66 113.54 25.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.841 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.94 94.35 6.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -100.98 93.85 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.369 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.461 HD21 HD12 ' A' ' 69' ' ' ILE . 24.1 m-20 -89.79 -171.16 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -90.77 16.39 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.85 6.21 45.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 104' ' ' VAL . 9.6 t -131.58 3.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 63.6 mt-10 -155.26 -37.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.6 -9.14 78.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -149.77 25.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.964 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 2.3 tp60 -82.16 -40.4 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -56.12 -61.04 2.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.453 1.095 . . . . 0.0 110.349 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -41.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.26 74.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.531 ' N ' ' NE2' ' A' ' 13' ' ' GLN . 3.1 mm-40 -66.87 -68.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 1.9 mm-40 -41.03 -39.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.972 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.03 -38.25 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.611 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -64.64 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.9 ptmt -75.69 -37.91 59.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.6 tp10 -69.21 -41.8 76.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 15' ' ' MET . 3.2 pt -75.8 -39.35 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.89 -35.61 77.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.06 -58.64 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 26' ' ' GLU . 20.0 mt -58.92 -20.8 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.761 HD11 HG11 ' A' ' 54' ' ' VAL . 6.6 tt -86.62 -18.26 31.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -110.86 -7.61 14.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -111.37 -61.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.91 -14.37 61.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.044 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.71 -179.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.817 ' HE3' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.25 73.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.98 -50.38 0.64 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.01 -16.4 20.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 2.6 ttt180 -77.22 -25.91 52.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 mt -87.66 -22.29 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.31 60.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.433 1.083 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 14.9 mtm -142.55 165.5 27.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 0.781 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -103.88 121.25 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 56' ' ' PHE . 62.6 p -84.95 164.8 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -141.56 168.0 20.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 53' ' ' TYR . 46.3 t -127.21 89.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 30.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.893 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.85 143.83 5.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 52' ' ' VAL . 11.0 p -152.2 138.7 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' LYS . 10.6 mt-10 -144.93 134.78 23.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -140.56 109.03 5.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.788 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -110.52 107.38 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.619 ' HG2' HG21 ' A' ' 91' ' ' ILE . 3.6 mtp180 -100.48 -1.4 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -16.37 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.211 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.729 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.3 tp -144.81 -71.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.3 57.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.788 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.5 p90 -151.81 135.55 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.86 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -143.21 120.75 11.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.66 136.1 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.62 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.35 146.56 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.761 HG11 HD11 ' A' ' 23' ' ' LEU . 22.9 m -146.67 119.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -106.97 124.24 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.5 m-85 -114.67 161.85 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' SD ' ' A' ' 34' ' ' MET . 9.7 tp -95.9 16.3 18.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.873 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.38 -32.31 71.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.7 OUTLIER -40.72 -34.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 1.052 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -43.08 -46.31 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.9 122.92 33.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 103' ' ' LEU . 3.8 tt0 -67.5 -23.22 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.78 71.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.21 -18.83 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.873 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.96 -43.19 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -48.35 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.7 -52.12 53.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.58 -61.1 7.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 99' ' ' TYR . 3.6 tt -53.14 -34.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.23 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.23 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.044 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.91 -21.73 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -45.74 18.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -27.71 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . . . -95.23 17.97 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 11.2 t -58.18 -74.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.24 2.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -46.04 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.704 HG22 ' OE2' ' A' ' 26' ' ' GLU . 13.5 pt -67.83 -39.63 82.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.06 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.531 ' HA ' HD12 ' A' ' 83' ' ' LEU . 10.7 ttp180 -63.37 -44.91 93.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -71.18 -36.54 72.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 1.185 . . . . 0.0 109.979 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -58.83 -41.94 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.381 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 80' ' ' ARG . 2.1 mt -67.09 -65.62 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -40.44 -51.01 3.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -39.65 79.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.72 -31.09 69.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -113.37 12.56 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 16.7 mtt180 22.36 74.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.112 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.84 HD23 ' CG1' ' A' ' 91' ' ' ILE . 1.4 tp -112.64 -153.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 92' ' ' VAL . 1.4 ptm180 -142.91 -46.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.84 ' CG1' HD23 ' A' ' 89' ' ' LEU . 1.1 pt -39.92 -33.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 90' ' ' ARG . 28.9 t 23.4 61.73 0.37 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.638 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.06 157.85 42.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.99 59.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -69.83 90.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.384 1.053 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 t -82.97 166.23 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.994 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.5 p90 -125.37 110.73 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.62 114.35 25.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.603 1.189 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.757 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -86.34 108.83 18.61 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -114.02 97.19 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -100.87 -178.67 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.511 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.84 7.81 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.913 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 65' ' ' VAL . 1.6 tp -91.51 2.53 56.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.601 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -137.73 7.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.358 1.036 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.564 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 8.5 mt-10 -152.22 -37.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.51 48.53 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.433 1.083 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.564 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.6 ptp -112.54 18.74 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 0.707 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 11.5 mmt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.955 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.88 -41.8 35.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -53.63 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.427 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -61.35 -40.42 86.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.99 87.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.6 mm-40 -70.34 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -38.09 -44.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.976 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.59 -40.8 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.1 tt0 -61.79 -32.96 73.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -41.56 55.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.228 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.9 -39.18 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.976 HG23 ' O ' ' A' ' 15' ' ' MET . 2.7 pt -76.8 -39.12 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.44 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.03 -60.06 2.46 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 26' ' ' GLU . 18.7 mt -59.2 -20.24 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.626 1.204 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.083 HD11 ' CG1' ' A' ' 54' ' ' VAL . 9.5 tt -85.21 -16.57 39.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -112.66 -13.91 13.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.42 -65.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.677 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -61.09 -18.29 57.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.702 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.85 -178.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.702 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.85 70.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.211 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.09 -50.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.01 1.63 7.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.434 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.8 ttt180 -93.66 -52.45 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD11 ' NZ ' ' A' ' 28' ' ' LYS . 10.8 mt -66.62 -22.51 66.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.07 31.59 19.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.429 ' O ' ' OD2' ' A' ' 29' ' ' ASP . 3.9 mpp? -144.85 178.36 8.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.0 106.17 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.623 HG22 ' CD2' ' A' ' 56' ' ' PHE . 64.6 p -69.25 155.0 41.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.627 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -129.7 159.58 36.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.3 p -117.72 79.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.76 33.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.644 1.215 . . . . 0.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CB ' ' A' ' 53' ' ' TYR . . . 179.82 134.63 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.705 HG11 ' HG3' ' A' ' 16' ' ' GLN . 2.5 p -149.51 123.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 0.719 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.15 127.47 32.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -132.0 106.52 8.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.642 1.214 . . . . 0.0 111.047 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.666 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -114.99 109.2 17.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.378 1.049 . . . . 0.0 110.005 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HG2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.99 4.75 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -49.22 -32.45 10.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.731 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -142.01 -61.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.54 74.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.731 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -163.83 132.72 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.947 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.59 165.3 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.655 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.61 106.69 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.27 132.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.518 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 43.0 t80 -95.2 151.11 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.083 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -154.07 123.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.627 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -114.98 132.45 56.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.623 ' CD2' HG22 ' A' ' 36' ' ' THR . 1.4 m-85 -126.7 170.54 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.0 10.94 26.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.84 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -49.59 -26.46 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' LYS . 14.2 t70 -39.86 -41.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' ASP . 18.0 mtpt -39.52 -42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.39 116.49 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 103' ' ' LEU . 1.7 tt0 -66.88 -19.15 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.36 -43.57 60.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.4 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.84 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.37 -43.63 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.215 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -74.9 -50.4 17.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.5 -61.11 7.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.407 1.067 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.5 tt -54.21 -33.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -67.25 -34.01 76.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.58 58.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.209 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.923 HD11 ' CE2' ' A' ' 97' ' ' PHE . 64.5 tp -75.91 -25.29 55.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -76.8 -44.58 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.92 -30.3 63.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -85.28 9.88 14.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' HD13 ' A' ' 79' ' ' ILE . 23.0 m -53.61 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.4 -22.61 0.64 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.78 -47.13 64.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 0.817 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.74 -34.5 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.701 ' HA ' HD11 ' A' ' 95' ' ' LEU . 43.6 ttp85 -65.93 -42.38 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -76.92 -33.24 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -62.26 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 79' ' ' ILE . 2.5 mt -71.17 -56.45 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.919 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -48.06 -44.46 25.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -76.48 -40.58 49.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -61.45 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.1 mtm -121.18 21.49 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 87' ' ' MET . 30.6 mtp180 22.71 85.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.919 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -121.35 -179.52 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.205 . . . . 0.0 109.262 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.4 ptt-85 -129.63 -40.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.854 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.5 pt -40.1 -31.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 49.5 t 23.61 60.82 0.37 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.854 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.5 Cg_endo -74.98 155.9 43.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.598 1.841 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.73 64.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.7 pp -68.81 91.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 51' ' ' LYS . 15.1 t -66.43 171.86 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.923 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -127.23 109.88 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -92.18 112.27 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.4 95.17 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -103.89 88.51 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.518 ' N ' ' ND2' ' A' ' 101' ' ' ASN . 0.2 OUTLIER -89.71 -170.05 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.3 15.28 7.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.438 HD11 ' HG3' ' A' ' 62' ' ' GLU . 3.6 tp -95.87 4.89 52.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.357 1.035 . . . . 0.0 109.226 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.596 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -136.02 6.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.6 1.187 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.52 ' HB2' ' HE2' ' A' ' 107' ' ' MET . 2.0 mt-10 -155.01 -36.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.16 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' ' HB2' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -137.91 27.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 107' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mp0 -85.78 -31.92 22.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -57.58 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.241 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.1 t -69.14 -41.77 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 9' ' ' GLN . . . -50.56 -39.15 48.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.6 mm100 -73.69 -64.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -42.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.964 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.92 -38.31 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.728 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.6 -35.43 79.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.0 ptmt -76.2 -39.04 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -68.13 -44.42 76.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.964 HG23 ' O ' ' A' ' 15' ' ' MET . 3.7 pt -72.41 -45.09 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -55.2 -38.32 68.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -67.28 -60.3 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.603 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 92.6 mt -58.4 -21.56 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.774 ' CD1' HD12 ' A' ' 79' ' ' ILE . 18.9 tp -88.09 -16.46 33.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -110.86 -7.67 14.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.644 1.215 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.7 -54.67 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.85 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.61 -3.25 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -99.51 -179.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -99.66 70.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.548 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -86.12 -49.67 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.3 17.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -85.77 -42.41 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 34' ' ' MET . 62.8 mt -70.77 -26.15 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 89.39 25.33 28.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 33' ' ' GLY . 3.8 mpp? -142.65 161.58 37.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.99 86.58 2.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' CD1' ' A' ' 56' ' ' PHE . 23.4 p -46.33 167.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -141.89 162.79 34.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 38' ' ' VAL . 13.3 p -128.04 80.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.33 29.81 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.98 133.8 2.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.728 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.6 p -149.66 134.14 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mt-10 -135.29 126.55 28.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 19' ' ' ILE . 3.0 mmm -132.22 106.6 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.752 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -113.73 106.53 14.6 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.448 1.093 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.92 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.9 -4.39 26.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -57.82 -17.19 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -143.42 -72.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.91 62.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.752 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -157.64 136.8 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.75 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.3 103.17 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.7 p -99.24 134.67 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -100.83 140.98 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 97' ' ' PHE . 4.6 m -142.91 120.17 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.85 135.01 50.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.1 m-85 -126.77 166.26 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tp -103.6 17.92 23.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -58.74 -26.96 64.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . 1.1 t70 -39.25 -40.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.6 mtmt -39.87 -42.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -128.0 117.38 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 103' ' ' LEU . 17.9 tt0 -66.67 -19.48 65.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -42.68 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.55 44.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.38 1.05 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -76.07 -43.86 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -49.86 23.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.64 53.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.33 -61.01 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.403 1.064 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.1 tt -54.33 -35.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -63.71 -34.44 77.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.93 -38.66 61.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -73.4 -19.88 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.41 -45.71 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.627 1.204 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.76 -29.74 66.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -89.5 3.78 51.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -55.17 -69.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.32 -20.85 5.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -41.81 58.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -70.5 -39.24 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.572 ' HA ' HD11 ' A' ' 95' ' ' LEU . 23.6 ttp85 -65.29 -46.2 81.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -72.58 -35.27 67.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' A' ' 26' ' ' GLU . 4.4 tt -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.53 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.24 -43.81 7.49 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -75.97 -39.78 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 109.371 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.87 70.58 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.588 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -113.6 14.33 18.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.4 mtm-85 22.45 73.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.647 1.217 . . . . 0.0 110.27 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -154.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 9.3 ptm180 -143.25 -43.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.92 HG21 ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.23 -38.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.0 t 22.91 59.97 0.33 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.77 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.89 153.38 42.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.426 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -66.68 69.69 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.73 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -70.67 94.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 51' ' ' LYS . 12.2 t -66.65 160.65 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE1' HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -110.99 102.65 11.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -93.41 111.14 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -97.35 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -112.68 86.72 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.232 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -170.0 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.17 9.8 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.016 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -93.31 1.55 56.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.0 OUTLIER -133.66 4.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.505 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 10.2 mt-10 -148.77 -40.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.28 54.22 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.505 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -121.54 32.52 5.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.777 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.456 ' NE ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 O-C-N 124.402 1.064 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.8 -37.47 48.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.364 1.04 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -62.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' MET . 2.2 t -55.76 -43.4 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.07 -34.6 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.0 mm-40 -76.71 -71.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -31.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.894 ' O ' HG23 ' A' ' 19' ' ' ILE . 53.4 mtp -80.77 -44.48 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.4 tm0? -63.22 -37.53 87.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.186 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.9 ptmt -78.12 -37.81 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.2 tp10 -66.73 -53.55 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 41' ' ' VAL . 2.3 pt -64.28 -42.26 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.648 1.217 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -56.92 -37.98 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -65.23 -58.58 5.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.7 mt -59.29 -22.97 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.611 ' CD2' HG11 ' A' ' 54' ' ' VAL . 13.5 tp -86.53 -16.58 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -111.14 -7.21 14.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -113.85 -56.08 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.32 -17.57 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.39 177.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.672 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.06 70.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.33 -50.88 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.06 -31.92 5.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -21.66 64.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' ' 28' ' ' LYS . 1.3 mp -78.56 -26.34 45.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.71 11.62 49.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.531 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mtt -128.56 -165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.412 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -136.16 78.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.913 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 p -43.05 155.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.525 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -137.63 161.3 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.369 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 5.8 p -121.81 73.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 t -43.38 -48.96 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -155.26 171.73 33.45 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 19' ' ' ILE . 61.4 t -153.38 129.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.342 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.53 110.78 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.323 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.5 104.58 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.87 106.84 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.075 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.548 ' NE ' HD13 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -97.91 0.72 47.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.04 -23.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -144.56 -61.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 164.58 80.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 37.3 m-85 -158.87 135.71 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -146.35 95.9 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.5 33.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.779 HG12 ' O ' ' A' ' 96' ' ' THR . 5.3 p -114.42 123.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -80.28 137.06 36.55 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.392 1.057 . . . . 0.0 110.927 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.611 HG11 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -141.85 117.48 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.525 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.33 128.07 53.29 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.913 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.0 m-85 -117.81 161.25 20.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' SD ' ' A' ' 34' ' ' MET . 11.1 tp -95.91 19.96 10.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.896 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -59.68 -33.24 71.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.51 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -40.53 -34.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.3 -49.06 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.72 126.26 41.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 29.7 tt0 -67.58 -24.67 65.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -42.61 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' HB1' HD21 ' A' ' 58' ' ' ASN . . . -80.03 -19.22 48.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.61 -42.94 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.397 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -51.0 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.49 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.09 7.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -53.62 -32.09 20.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.41 -33.41 75.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.14 -43.89 23.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -67.34 -21.8 65.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -80.89 -52.92 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.1 pp20? -57.56 -31.71 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -88.59 14.08 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 5.6 t -56.78 -74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.7 -20.03 3.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.408 1.068 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.58 -43.92 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 97' ' ' PHE . 18.4 pt -71.74 -40.7 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.6 -47.8 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.8 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.812 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.6 tt -64.87 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.908 HD13 HD23 ' A' ' 95' ' ' LEU . 3.6 mt -69.13 -57.76 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -46.34 -49.86 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -70.92 -40.85 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.27 -32.66 70.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -112.07 11.91 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 6.3 mtt180 23.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.746 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.8 tp -118.41 -151.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.8 ptt-85 -149.38 -42.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -39.76 -28.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 67.8 t 26.9 57.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.88 61.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.93 87.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.779 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -107.78 173.79 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 3.0 p90 -138.17 124.09 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.33 120.2 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -82.55 101.19 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.505 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -108.79 90.59 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -172.39 2.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.51 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -91.43 14.05 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.07 -2.21 32.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.8 t -129.8 -2.8 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.0 mt-10 -139.68 -38.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.48 19.04 64.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.1 ptp -155.57 29.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.457 ' NE ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.23 -42.44 37.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -55.51 -58.79 6.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -53.38 -40.69 41.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -61.55 -39.33 90.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 13' ' ' GLN . 2.1 mm-40 -68.45 -64.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.24 -43.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.74 -37.1 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.663 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.7 ptmt -76.12 -38.74 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 tp10 -68.73 -36.28 78.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -80.27 -40.02 19.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.217 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -62.37 -33.43 74.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.57 -57.44 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 89.2 mt -58.47 -24.49 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.715 HD11 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -87.44 -17.75 31.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 12.7 mt-30 -107.84 -5.47 17.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.5 tmt_? -115.42 -57.34 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.748 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.13 -19.7 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.11 178.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.634 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -97.08 74.19 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.86 -52.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.95 -20.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -72.69 -29.91 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 28' ' ' LYS . 6.6 mp -109.47 25.47 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 36.94 32.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 15.7 mtm -128.84 146.95 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -107.95 74.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.802 HG22 ' CD1' ' A' ' 56' ' ' PHE . 50.3 p -36.0 148.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -128.62 158.36 38.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.42 87.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 17.65 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.082 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.72 136.19 3.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.6 p -145.83 123.7 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' SD ' ' A' ' 43' ' ' MET . 2.0 mt-10 -138.85 123.26 18.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 1.5 mmm -122.44 105.28 10.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' TYR . 19.2 m -103.83 106.02 16.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -99.88 -1.55 37.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.594 1.184 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -23.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.198 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.2 mt -144.61 -61.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 162.34 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 47.7 m-85 -163.52 136.66 5.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CB ' ' A' ' 95' ' ' LEU . . . -136.58 95.24 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 112.1 20.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -116.52 134.67 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.445 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -90.24 149.75 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.715 HG11 HD11 ' A' ' 23' ' ' LEU . 9.8 m -153.4 120.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -113.23 133.3 55.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.802 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.9 m-85 -121.58 167.92 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 34' ' ' MET . 7.1 tp -103.08 17.52 23.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.902 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.21 -32.17 70.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 mtpp -38.63 -44.0 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.03 119.88 26.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.5 tt0 -66.31 -22.53 66.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -43.98 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.09 -19.75 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.12 -42.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -51.14 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.98 -52.8 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.53 -62.04 6.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -52.17 -35.52 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.94 -35.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.3 43.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.18 -19.63 64.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -84.29 -51.72 6.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 110.391 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.77 -33.59 68.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.42 13.4 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 44.0 p -56.57 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.04 -20.32 3.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.57 -43.49 55.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.748 HG22 ' CD ' ' A' ' 26' ' ' GLU . 16.4 pt -71.46 -38.48 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -67.49 -48.14 67.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m -70.18 -37.97 75.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 109.939 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 1.1 tt -62.74 -34.19 76.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 79' ' ' ILE . 6.6 mt -68.31 -59.0 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.26 -50.83 9.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -40.89 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.92 -31.58 69.96 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.48 1.113 . . . . 0.0 109.194 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.563 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -111.45 12.68 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 87' ' ' MET . 53.9 mtp180 22.62 75.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 89' ' ' LEU . 4.5 tp -112.43 -150.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.794 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.0 ptt180 -151.31 -44.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.0 HD12 ' HG3' ' A' ' 93' ' ' PRO . 2.2 pt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 90' ' ' ARG . 22.0 t 24.95 59.93 0.42 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 1.0 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 159.1 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.23 63.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.919 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -66.4 90.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.497 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -88.27 159.06 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.534 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.1 p90 -124.92 114.0 18.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.53 114.64 26.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.84 101.91 13.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.28 87.78 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -88.98 -172.14 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -89.63 13.96 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 110.014 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.712 HD22 HG11 ' A' ' 65' ' ' VAL . 2.0 tp -96.21 3.27 53.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 104' ' ' VAL . 6.7 t -136.57 10.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.714 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 1.8 mp0 -158.12 -38.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.04 -16.85 40.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.714 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -113.13 24.68 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -38.74 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -57.39 12.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.06 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.26 76.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.2 mm-40 -72.04 -65.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.1 -42.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.67 -39.1 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.665 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -63.75 -33.7 76.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.24 52.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.21 -45.54 73.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 110.237 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.9 pt -69.57 -47.27 72.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.46 -34.9 67.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.97 -59.28 3.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.9 mt -59.06 -24.16 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.8 tp -86.5 -15.99 38.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -110.59 -9.48 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.1 mpt_? -111.29 -59.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.883 ' OE2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.5 -11.67 58.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -89.91 179.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.39 72.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.572 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.11 -55.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.01 -8.82 20.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -84.2 -44.04 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.9 mp -73.36 -23.62 60.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 14.85 46.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -133.04 147.71 52.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 105.01 16.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 56' ' ' PHE . 75.6 p -63.85 151.26 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.569 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.68 86.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.214 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 28.68 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.5 137.39 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.665 HG11 ' HG3' ' A' ' 16' ' ' GLN . 11.6 p -150.46 133.28 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.443 0.731 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.05 121.08 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.662 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -122.2 104.88 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.8 m -109.88 106.07 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 91' ' ' ILE . 1.9 mpp_? -101.84 -6.17 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.45 -23.39 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -144.28 -71.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 171.14 73.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 27.1 m-85 -153.05 140.22 19.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -152.56 113.94 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 119.24 38.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.82 129.97 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.87 151.05 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -150.94 117.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.569 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -107.24 126.2 52.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.45 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.659 ' CD2' HG22 ' A' ' 36' ' ' THR . 3.8 m-85 -116.49 165.62 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.37 26.7 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.891 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -70.39 -31.08 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' LYS . 1.5 t70 -38.58 -43.3 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ASP . 1.8 mtmt -37.86 -42.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.93 116.9 20.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 103' ' ' LEU . 23.3 tt0 -66.95 -19.73 65.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -43.71 62.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -19.43 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.891 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.68 -43.67 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.72 -52.46 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -52.65 61.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.35 -61.65 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 99' ' ' TYR . 8.4 tt -55.86 -29.78 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -68.4 -32.35 72.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 74' ' ' GLU . . . -82.42 -45.94 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HG ' ' CE2' ' A' ' 97' ' ' PHE . 23.9 tp -54.89 -36.06 64.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.218 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 19.1 pt20 -77.03 -47.87 19.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 1.3 pt-20 -54.33 -20.95 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.27 17.2 21.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 48.0 t -55.48 -71.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.2 -21.02 0.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.0 -44.41 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.71 HG22 ' OE1' ' A' ' 26' ' ' GLU . 15.4 pt -70.36 -40.54 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp-105 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.213 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -71.04 -32.82 69.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.411 1.069 . . . . 0.0 110.01 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.883 HD13 ' OE2' ' A' ' 26' ' ' GLU . 2.5 tt -66.63 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 12.3 mt -69.56 -56.64 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -47.55 -50.3 19.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -69.75 -41.78 74.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.61 -30.92 70.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 88' ' ' ARG . 3.8 ttm -110.71 11.96 22.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.9 mtm180 23.53 76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.885 HD22 HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -123.74 -177.54 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -121.36 -40.61 2.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.525 1.14 . . . . 0.0 110.255 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.885 HG12 HD22 ' A' ' 89' ' ' LEU . 1.1 pt -38.36 -33.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 90' ' ' ARG . 37.1 t 24.93 58.3 0.39 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.739 ' CG ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.99 170.3 20.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -68.05 62.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -68.16 87.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.15 171.0 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 23.2 p90 -132.96 117.55 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.58 118.39 30.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -87.38 109.94 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 105' ' ' GLU . 1.1 t70 -115.81 86.5 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -93.32 -172.54 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.86 11.94 21.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 65' ' ' VAL . 1.1 tp -97.33 -1.36 44.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -131.27 -1.12 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.535 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 2.8 mt-10 -141.08 -39.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.58 -9.43 64.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.535 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -123.41 26.43 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 105' ' ' GLU . 4.2 mpt_? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.936 -0.448 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -36.01 47.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.95 52.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.0 OUTLIER -65.62 -40.84 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.647 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.62 -40.24 78.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.6 mm-40 -71.18 -71.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.11 -32.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.931 ' O ' HG23 ' A' ' 19' ' ' ILE . 35.6 mtp -79.82 -43.05 23.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.779 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.9 tm0? -63.35 -35.74 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.95 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.68 -40.44 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 15' ' ' MET . 5.3 pt -75.46 -49.4 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -54.35 -33.71 59.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.063 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -70.79 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.58 ' CG2' HD23 ' A' ' 82' ' ' LEU . 43.0 mt -58.52 -25.1 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.4 tp -88.29 -15.95 34.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 31.9 mt-30 -109.19 -6.2 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 21' ' ' LEU . 27.5 mtp85 -115.59 -54.58 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -70.6 -15.62 62.77 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.4 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.29 74.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -94.47 -53.4 0.24 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.401 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.93 -30.53 7.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -70.09 -60.19 2.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -59.1 -27.55 65.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.88 41.1 8.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.508 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 11.8 mtt -146.62 -174.31 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.45 82.4 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.4 p -45.65 145.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.4 m -124.59 161.9 25.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.9 p -118.8 90.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.17 29.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.7 135.86 3.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.779 HG11 ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -144.62 121.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LYS . 24.6 mt-10 -133.96 95.2 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.647 ' HE1' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -104.01 102.61 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 111.102 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.457 ' O ' ' O ' ' A' ' 49' ' ' TYR . 3.1 m -113.73 105.49 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.598 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.27 -0.36 35.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.81 -22.26 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.12 -62.76 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.22 77.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.358 1.036 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 35.0 m-85 -157.59 137.7 12.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.996 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -145.52 95.22 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -90.26 104.01 16.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -102.79 152.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.527 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 14.6 t80 -107.6 153.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -155.72 121.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.12 121.8 40.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.0 m-85 -112.75 153.13 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . 18.1 tp -90.04 16.05 9.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.869 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -54.16 -28.36 39.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -39.49 -36.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -39.97 -47.6 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.24 122.68 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.3 tm-20 -67.3 -23.14 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -42.75 69.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -18.81 48.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.37 -44.2 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -74.85 -51.6 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.48 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.15 -60.91 7.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.407 1.067 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CD2' ' A' ' 99' ' ' TYR . 7.8 tt -55.29 -27.98 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -70.33 -33.42 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -74.11 -44.64 53.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 27' ' ' ILE . 2.0 tp -72.21 -19.75 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -45.8 24.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -71.26 -27.36 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -90.03 14.75 11.5 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -55.85 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.82 -18.23 4.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -76.01 -42.62 47.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.995 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 83' ' ' LEU . 14.5 pt -71.18 -39.36 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -66.23 -46.3 77.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -73.95 -33.35 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.58 HD23 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -65.61 -33.77 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 95' ' ' LEU . 4.8 mt -71.65 -57.02 4.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.32 -46.38 21.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -74.23 -41.47 61.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.18 -30.3 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.572 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.4 ttm -112.42 12.34 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 87' ' ' MET . 8.4 mtt85 22.72 76.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.8 tp -114.5 -151.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -149.92 -43.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.885 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -39.81 -29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.1 t 25.51 59.42 0.45 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.885 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.96 167.01 28.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.541 1.811 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -67.84 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.996 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.79 86.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.63 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -89.01 168.26 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.741 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 11.2 p90 -131.04 113.4 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.595 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.741 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.02 99.78 12.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.527 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.76 87.09 2.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.481 HD21 HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -88.68 -171.02 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.83 12.77 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.046 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -93.41 1.89 56.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -133.96 1.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.512 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.9 mt-10 -145.92 -36.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 92.28 -34.05 4.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.512 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -136.43 26.79 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 0.734 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.423 ' HA ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.935 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -78.4 -40.64 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -61.12 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -42.77 43.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.408 1.067 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -61.02 -36.96 80.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 21.2 mm-40 -71.04 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -41.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.956 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.54 -39.74 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.826 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -64.31 -34.05 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.65 -40.26 56.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 8.0 tp10 -68.25 -41.11 81.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.956 HG23 ' O ' ' A' ' 15' ' ' MET . 4.1 pt -74.29 -44.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.32 -35.02 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.47 -59.99 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.816 HG21 HD22 ' A' ' 82' ' ' LEU . 69.3 mt -58.78 -20.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -86.66 -18.05 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.34 -7.43 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.65 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.58 -20.69 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.026 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -80.93 175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.626 ' HZ3' ' HA ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.0 72.14 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.566 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -88.04 -48.35 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -75.06 -14.56 20.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.388 1.731 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -83.68 -49.12 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 2.2 mp -70.7 -23.52 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 84.31 34.1 18.13 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -137.87 167.06 22.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 0.776 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ttp -115.7 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 ' CD1' ' A' ' 56' ' ' PHE . 63.3 p -38.82 158.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.7 m -138.67 165.22 27.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 37' ' ' THR . 71.1 t -124.61 83.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.18 22.56 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.1 136.47 3.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.826 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.4 p -151.71 136.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -148.12 134.76 19.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.214 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -134.19 108.43 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -105.2 107.24 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.488 ' HG2' HD13 ' A' ' 91' ' ' ILE . 1.8 mpp_? -101.36 -4.42 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -50.25 -22.77 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.88 -66.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.58 60.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.1 m-85 -146.82 130.19 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.33 156.34 48.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 112.53 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 19' ' ' ILE . 2.0 p -109.91 123.19 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.424 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.813 HG11 HD11 ' A' ' 23' ' ' LEU . 6.5 m -152.16 119.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.634 1.209 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -109.88 130.72 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.721 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.4 m-85 -119.38 169.41 10.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tp -109.3 27.59 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.194 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.867 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -71.79 -29.2 64.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' LYS . 2.1 t70 -39.32 -43.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.6 mttt -37.73 -43.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.46 117.42 22.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 tt0 -66.69 -20.37 65.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.226 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -43.57 64.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.06 -19.89 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.182 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.14 -39.93 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -52.35 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.9 71.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.95 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.1 tt -53.73 -34.2 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.47 80.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.09 -40.07 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.026 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -72.66 -19.33 61.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -47.99 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.3 pt-20 -68.88 -30.63 69.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.28 18.54 6.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.1 t -63.1 -74.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.91 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.5 -19.06 2.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.33 -44.51 44.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.724 . . . . 0.0 111.07 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.1 pt -68.69 -37.82 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 83' ' ' LEU . 6.4 ttt-85 -66.87 -45.76 77.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -70.78 -34.85 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.841 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.3 tt -64.48 -37.63 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -66.72 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -41.42 -52.63 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.628 1.205 . . . . 0.0 111.047 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -67.26 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 0.807 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.09 -33.59 71.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.8 ptp -110.51 12.32 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 3.3 mtt180 22.9 74.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.751 HD23 ' CG1' ' A' ' 91' ' ' ILE . 2.5 tp -112.08 -152.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 92' ' ' VAL . 28.4 ptt180 -146.26 -45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.3 pt -40.65 -29.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.588 ' C ' ' O ' ' A' ' 91' ' ' ILE . 48.7 t 23.4 61.08 0.36 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.04 159.36 41.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -68.2 59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -69.49 87.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 52' ' ' VAL . 2.7 t -79.97 165.94 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 14.2 p90 -124.94 108.91 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.05 114.15 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.92 100.81 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 0.0 111.048 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 91.75 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.442 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -93.24 -174.54 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.434 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -85.84 12.66 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.923 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.506 HD22 HG11 ' A' ' 65' ' ' VAL . 2.8 tp -95.3 0.49 53.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 104' ' ' VAL . 27.7 t -140.05 7.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.518 ' CB ' ' HE2' ' A' ' 107' ' ' MET . 4.3 mm-40 -148.45 -37.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.68 -39.21 3.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE2' ' CB ' ' A' ' 105' ' ' GLU . 1.2 ptp -87.31 15.32 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 10.0 mmt-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.16 -38.53 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -42.5 93.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -34.23 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.05 92.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' GLN . 8.4 mm-40 -69.34 -65.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.255 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -42.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.954 ' O ' HG23 ' A' ' 19' ' ' ILE . 90.8 mtp -74.86 -37.08 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.875 ' CG ' HG21 ' A' ' 41' ' ' VAL . 1.9 tm0? -64.54 -36.06 83.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 pttt -77.5 -37.8 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.3 tp10 -68.12 -43.82 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.954 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -74.01 -43.15 52.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.8 -33.71 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -71.57 -56.67 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 76.2 mt -58.89 -23.62 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 HG11 ' A' ' 54' ' ' VAL . 12.6 tp -86.61 -15.24 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -110.99 -9.04 14.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 11.5 mmt180 -113.63 -59.06 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.877 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.59 -19.56 65.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -81.7 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.95 71.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.86 -51.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -74.96 -6.21 17.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.45 -15.25 19.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.648 1.218 . . . . 0.0 110.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 28' ' ' LYS . 22.1 mt -88.24 -24.74 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 90.66 23.16 31.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.405 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.0 mpp? -153.07 175.02 13.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.49 125.97 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.727 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.3 p -88.27 168.21 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -143.63 166.28 25.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 38' ' ' VAL . 8.9 p -126.56 86.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.39 28.79 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.045 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . . . 177.35 138.94 3.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.932 HG22 HG23 ' A' ' 52' ' ' VAL . 3.2 t -151.69 148.47 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.595 0.821 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.8 mt-10 -155.29 131.95 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -135.22 107.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.767 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -106.24 107.23 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.847 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.55 -0.46 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.48 -15.75 40.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.36 -70.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.5 56.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.767 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -152.09 130.41 12.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -139.25 151.31 46.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -133.95 122.37 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.932 HG23 HG22 ' A' ' 41' ' ' VAL . 1.9 p -118.02 127.64 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -85.05 144.21 28.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.765 HG11 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.41 118.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.57 129.7 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 36' ' ' THR . 4.8 m-85 -118.87 167.09 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.05 16.0 25.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.28 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -38.12 -43.57 0.76 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.8 mtpt -39.31 -41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.76 118.62 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -67.84 -19.8 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -43.75 55.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.47 49.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.63 -42.68 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -72.07 -58.2 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.54 44.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.61 5.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.221 HD11 ' CD1' ' A' ' 99' ' ' TYR . 4.4 tt -57.73 -28.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -68.58 -29.88 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.58 -41.53 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 27' ' ' ILE . 69.0 mt -65.41 -29.88 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -79.03 -48.02 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -63.66 -20.57 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.83 20.1 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 71.4 m -54.51 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.06 -23.15 1.03 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -72.47 -44.92 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 111.046 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.749 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.5 pt -71.91 -40.87 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 83' ' ' LEU . 1.7 ttp85 -66.69 -48.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.5 t -69.29 -34.14 74.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.877 HD22 ' HG2' ' A' ' 26' ' ' GLU . 6.5 tt -65.0 -34.81 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.1 mt -69.23 -58.15 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.94 -51.01 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -69.07 -41.23 77.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.47 -31.13 70.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.0 ttm -110.9 11.43 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.559 ' C ' ' O ' ' A' ' 87' ' ' MET . 29.7 mtt85 23.61 76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.295 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.1 tp -116.41 -153.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.8 ttt180 -145.76 -45.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.847 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.2 pt -42.3 -31.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 90' ' ' ARG . 26.1 t 24.59 60.24 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.182 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.789 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.6 Cg_endo -74.94 160.95 39.71 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 50' ' ' ALA . 2.4 tt0 -66.46 59.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -68.41 90.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 52' ' ' VAL . 1.2 t -90.46 163.04 14.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 79' ' ' ILE . 21.1 p90 -122.38 112.5 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.92 115.2 27.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 1.221 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -83.81 104.69 14.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -108.63 87.53 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 3.9 m-20 -94.58 -175.06 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.453 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -83.24 10.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.592 HD22 HG11 ' A' ' 65' ' ' VAL . 1.5 tp -93.1 2.58 56.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.62 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.4 t -138.09 9.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.821 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 6.2 mt-10 -155.14 -37.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.86 -35.21 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.821 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.1 ptp -90.03 10.49 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.453 ' C ' ' OG ' ' A' ' 102' ' ' SER . 12.6 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.7 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.513 0.197 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 162.61 45.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -134.9 85.83 2.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -87.24 84.19 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 110.244 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -135.49 -179.19 5.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.948 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.72 -1.27 63.79 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.498 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -78.61 177.65 2.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.287 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.2 Cg_endo -75.05 3.15 5.9 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -84.67 -38.32 19.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -56.73 -63.25 1.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.09 -41.01 40.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.545 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.7 -36.13 71.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.512 ' N ' ' NE2' ' A' ' 13' ' ' GLN . 1.2 mm-40 -69.16 -64.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.83 -38.39 2.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.08 -39.2 60.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.95 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.4 tm0? -64.91 -35.65 81.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.91 -38.14 58.04 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.6 tp10 -68.45 -43.36 77.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -74.26 -36.65 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -63.06 -34.82 78.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.621 1.201 . . . . 0.0 109.332 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -71.96 -59.1 2.92 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.627 HG23 ' HB3' ' A' ' 26' ' ' GLU . 14.7 mt -60.88 -19.65 20.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.043 HD21 ' CG1' ' A' ' 54' ' ' VAL . 7.3 tt -85.07 -19.27 32.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 3.8 mt-30 -111.95 -8.77 14.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.0 mtm180 -109.04 -62.08 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.627 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.71 -21.16 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.648 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.4 OUTLIER -78.4 179.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' HD13 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -101.85 73.12 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.626 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.87 -45.48 0.68 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.348 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -74.98 -21.06 16.29 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -81.51 -15.85 53.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 110.244 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' GLY . 1.7 mp -110.59 14.55 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.94 37.41 0.17 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.11 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 76.6 mtm -150.51 155.35 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 128.83 48.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.4 p -91.61 165.46 13.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.537 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -135.23 164.77 26.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' CG2' ' A' ' 37' ' ' THR . 69.0 t -127.02 80.77 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.29 33.24 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -179.51 136.67 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.95 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -155.08 133.17 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 7.0 mm-40 -142.52 127.27 18.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.627 ' CE ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.75 106.95 8.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.747 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.24 107.91 17.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.866 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.61 -5.58 26.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.88 -18.79 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.222 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.737 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.89 -71.22 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.67 61.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.747 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -155.88 133.96 11.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.841 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -139.75 164.95 28.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.584 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.76 113.66 6.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 96' ' ' THR . 9.9 p -108.68 145.64 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -112.64 141.4 46.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.043 ' CG1' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -143.77 122.92 7.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.537 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.3 OUTLIER -110.41 131.08 55.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.098 . . . . 0.0 110.44 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 4.1 m-85 -123.23 168.13 12.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.77 17.41 24.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.884 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -57.58 -27.66 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 102' ' ' SER . 5.8 t70 -41.37 -35.58 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -41.33 -43.05 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.59 120.42 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 103' ' ' LEU . 0.5 OUTLIER -66.94 -18.44 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -39.88 33.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.423 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.93 -24.02 38.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.884 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -76.45 -42.61 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 69' ' ' ILE . 53.3 tttt -71.7 -56.2 6.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.76 -53.7 46.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.44 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -48.05 -61.84 4.62 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CD2' ' A' ' 99' ' ' TYR . 5.7 tt -52.36 -36.98 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.381 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.39 -35.75 76.48 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.48 -37.16 68.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.648 ' CD1' HD11 ' A' ' 27' ' ' ILE . 16.4 tp -73.17 -24.12 60.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -75.56 -44.8 41.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -68.94 -33.48 73.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.63 10.47 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 35.4 t -55.12 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.37 -19.22 4.04 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.469 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.17 -43.06 54.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.646 HD12 ' CE1' ' A' ' 97' ' ' PHE . 15.6 pt -71.71 -38.86 67.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -67.2 -46.68 73.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 t -71.72 -36.89 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -64.5 -33.04 74.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 79' ' ' ILE . 13.5 mt -70.76 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.36 -45.58 8.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 111.031 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -74.36 -40.05 62.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 0.734 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.54 -32.34 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -112.42 14.5 20.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 111.011 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 83.3 mtt180 22.42 78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.814 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.4 tp -119.25 -150.97 0.47 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 91' ' ' ILE . 1.6 ptt-85 -148.12 -44.69 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.866 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.9 OUTLIER -37.37 -36.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.255 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.1 t 23.75 60.12 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.23 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.691 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.99 157.2 42.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.498 1.789 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -67.26 66.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.841 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -72.8 90.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.7 t -68.41 161.65 27.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.418 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.646 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.37 103.55 10.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.057 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -92.35 121.36 33.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.585 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.91 103.33 13.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 1.5 t0 -105.31 87.88 2.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.87 -170.69 2.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.4 15.7 11.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.013 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.562 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -101.1 2.44 40.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.1 t -132.21 3.15 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 21.0 mt-10 -150.13 -38.33 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 83.37 -5.16 78.74 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -123.7 25.71 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 0.746 . . . . 0.0 111.011 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.454 ' NH1' ' OE2' ' A' ' 105' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.478 0.18 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 -130.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.09 86.46 1.64 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -88.62 86.73 7.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.2 t80 -144.34 136.52 26.37 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -39.7 -25.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.505 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.12 177.54 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 110.306 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.2 Cg_endo -74.95 5.22 4.09 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.597 1.841 . . . . 0.0 111.012 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -78.51 -37.13 43.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.3 tmm_? -60.95 -59.08 5.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 15' ' ' MET . 45.2 t -54.76 -44.53 71.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.68 -39.39 88.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.511 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.79 -70.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.19 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 15' ' ' MET . 7.8 pt-20 -38.73 -37.38 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.85 -42.86 57.16 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.601 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.3 tm0? -64.2 -35.3 80.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -76.54 -39.64 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.77 -41.3 83.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 110.212 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.8 pt -76.69 -38.54 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -59.04 -35.78 73.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -74.99 -59.41 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.614 HG23 ' HB3' ' A' ' 26' ' ' GLU . 68.4 mt -57.74 -21.01 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.052 HD11 ' CG1' ' A' ' 54' ' ' VAL . 10.3 tt -87.66 -16.59 33.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -111.83 -7.8 14.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -114.52 -61.46 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.767 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.85 -19.03 65.66 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.415 1.072 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.795 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -83.79 175.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.79 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -102.68 72.01 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.229 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.61 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.63 -46.24 0.61 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.9 -10.72 21.52 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.493 ' CG ' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -87.27 -25.8 23.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.25 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.79 HD23 ' O ' ' A' ' 28' ' ' LYS . 1.7 mm? -84.98 -22.7 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.91 21.18 58.06 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 34.3 mtm -146.07 151.79 38.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 111.003 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 ttp -88.66 101.17 13.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 ' HB ' ' CD1' ' A' ' 56' ' ' PHE . 38.6 p -60.72 169.8 1.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 110.356 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.628 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -145.42 162.99 36.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.524 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 69.0 t -127.88 85.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 13.57 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.41 124.44 1.59 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.527 HG21 ' CG ' ' A' ' 16' ' ' GLN . 38.3 t -148.29 128.34 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 0.805 . . . . 0.0 109.366 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.416 ' C ' ' SD ' ' A' ' 43' ' ' MET . 5.5 mt-10 -140.42 129.05 22.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.606 1.191 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.416 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 2.0 mmm -127.75 107.18 9.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.417 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -111.8 106.2 14.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.077 . . . . 0.0 110.05 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.736 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.52 -3.74 27.98 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -48.27 -23.53 0.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 109.232 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -148.26 -63.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.03 70.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 18.8 m-85 -152.38 140.05 19.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.883 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -150.24 147.88 28.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -128.47 107.76 9.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.818 HG21 HD21 ' A' ' 95' ' ' LEU . 2.9 t -104.53 114.92 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.216 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -91.07 153.32 20.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 111.045 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.052 ' CG1' HD11 ' A' ' 23' ' ' LEU . 2.7 m -153.34 122.8 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.499 1.124 . . . . 0.0 109.248 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.628 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.91 133.61 52.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.416 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 5.0 m-85 -128.83 158.07 39.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' C ' ' SD ' ' A' ' 34' ' ' MET . 8.5 tp -90.62 11.45 22.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.871 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -52.24 -27.7 15.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 102' ' ' SER . 0.6 OUTLIER -40.18 -41.42 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.63 -42.55 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.085 . . . . 0.0 109.35 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.98 117.34 21.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 23.4 tt0 -67.41 -19.43 65.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.75 -43.63 62.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.86 -19.44 44.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.871 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.79 -44.16 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 3.4 tmtm? -74.26 -53.47 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -52.56 62.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.97 -61.89 6.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.689 HD11 ' HB2' ' A' ' 99' ' ' TYR . 5.3 tt -55.45 -31.82 28.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 7.0 tttm -66.44 -33.22 75.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.04 -42.05 33.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD11 HD13 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -68.02 -24.73 65.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -79.08 -49.86 11.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -59.99 -30.11 68.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.44 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -89.02 13.63 12.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.469 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.6 m -54.57 -72.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.03 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.58 -19.85 3.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.428 1.08 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -77.18 -43.49 33.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.393 0.702 . . . . 0.0 110.931 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.685 HD13 ' CE2' ' A' ' 97' ' ' PHE . 17.6 pt -70.51 -39.43 76.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -67.77 -46.28 72.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.197 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.1 t -72.27 -33.61 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.767 HD22 ' HG2' ' A' ' 26' ' ' GLU . 3.7 tt -66.14 -34.22 77.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 87' ' ' MET . 30.7 mt -71.41 -53.28 14.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.613 1.196 . . . . 0.0 109.306 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -49.55 -46.49 37.55 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.441 1.088 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.08 -42.09 57.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 0.79 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.97 -30.52 69.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.8 ttm -113.67 13.14 18.57 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.575 ' C ' ' O ' ' A' ' 87' ' ' MET . 12.4 mtm180 23.06 79.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.394 1.059 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.686 HD23 ' CG1' ' A' ' 91' ' ' ILE . 3.5 tp -120.47 -158.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.239 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 8.8 mtt180 -141.89 -42.93 0.35 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.736 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.98 -35.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 95.8 t 24.14 59.71 0.38 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.708 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.1 163.75 34.53 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -69.04 66.86 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.883 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -70.32 87.98 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 51' ' ' LYS . 1.5 t -72.56 172.92 9.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CE2' HD13 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -130.53 111.56 12.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 0.6 OUTLIER -104.71 119.93 40.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.689 ' HB2' HD11 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -97.24 106.58 18.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 0.8 OUTLIER -108.93 92.29 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 8.8 p30 -98.04 -173.13 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 59' ' ' ASP . 7.6 t -89.62 14.38 11.77 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 110.057 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -99.2 1.77 45.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.479 ' O ' ' CG1' ' A' ' 104' ' ' VAL . 1.4 t -128.02 -3.51 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.536 ' O ' ' CE ' ' A' ' 107' ' ' MET . 5.1 mt-10 -142.63 -42.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.45 ' C ' ' OG ' ' A' ' 102' ' ' SER . . . 91.05 19.75 41.7 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.536 ' CE ' ' O ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -156.11 33.21 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.949 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 110.33 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.43 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.496 0.189 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 179.43 167.86 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 33.0 tttt -146.4 85.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.26 85.35 1.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -144.31 -176.88 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 111.082 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.19 0.17 63.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.499 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -79.86 177.85 2.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.499 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.04 2.84 6.2 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -85.97 -32.34 21.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -61.18 -50.42 73.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.31 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.78 -39.05 79.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.89 93.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.577 1.173 . . . . 0.0 109.259 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.469 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.6 OUTLIER -64.9 -65.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.272 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -41.58 -38.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.586 1.179 . . . . 0.0 110.325 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.968 ' O ' HG23 ' A' ' 19' ' ' ILE . 2.8 mtt -77.65 -36.07 51.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 111.078 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.999 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.6 tm0? -66.88 -34.67 78.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.6 pttt -77.14 -39.85 47.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -67.33 -43.65 81.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.968 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -73.31 -40.8 57.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -58.9 -35.64 73.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.85 -62.58 1.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.676 HG23 ' HB3' ' A' ' 26' ' ' GLU . 59.1 mt -58.71 -19.82 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.989 HD11 ' CG1' ' A' ' 54' ' ' VAL . 8.7 tt -86.3 -17.09 35.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.237 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -112.21 -13.02 13.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -107.02 -64.13 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.676 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.6 -15.28 57.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -84.58 179.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -104.42 72.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.598 1.186 . . . . 0.0 109.251 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.538 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.89 -54.5 0.3 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.538 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.84 18.59 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.476 1.777 . . . . 0.0 111.06 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.6 -31.13 18.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' O ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -84.28 -13.99 51.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.27 11.84 77.37 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 30.1 mtm -145.35 161.26 40.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 111.005 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.06 150.12 26.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.492 ' HB ' ' CD2' ' A' ' 56' ' ' PHE . 0.2 OUTLIER -112.02 172.16 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 110.418 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -134.43 167.47 20.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 110.333 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' A' ' 37' ' ' THR . 4.5 t -122.33 74.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.13 7.93 12.22 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.132 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.76 128.18 2.19 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.999 HG11 ' HG3' ' A' ' 16' ' ' GLN . 1.2 p -147.92 123.99 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.79 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -133.11 126.42 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.701 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -130.4 105.54 7.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.783 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -110.19 105.36 14.4 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.569 1.168 . . . . 0.0 109.962 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.82 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -102.1 -2.33 29.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.616 1.198 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -15.24 26.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -143.66 -71.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.23 58.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.783 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.8 p90 -154.05 132.09 11.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.751 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.97 162.18 33.58 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.75 99.97 3.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.359 1.037 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -98.83 128.25 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.566 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -97.02 152.45 18.73 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.989 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.3 OUTLIER -153.19 127.29 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.473 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.29 129.37 56.54 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 56' ' ' PHE . 3.4 m-85 -121.81 166.28 14.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.4 tp -99.54 13.24 34.1 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.508 1.13 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.87 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -56.0 -21.04 19.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 3.7 t70 -47.67 -38.97 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.363 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.1 mtmt -40.02 -42.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.16 118.22 22.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' HG3' HD11 ' A' ' 103' ' ' LEU . 5.2 tt0 -67.17 -19.28 65.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 110.311 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.14 -41.5 58.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.74 -21.05 41.47 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.597 1.186 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.914 HG11 HD22 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -75.64 -42.76 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' O ' ' CE ' ' A' ' 70' ' ' LYS . 4.7 ptmt -72.65 -55.11 7.33 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.409 1.068 . . . . 0.0 109.332 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 66' ' ' LYS . . . -63.48 -53.33 53.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.79 -62.21 5.08 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.859 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -52.81 -32.41 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' CE ' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -63.97 -35.23 80.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.71 -38.23 64.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.919 HD11 HD11 ' A' ' 27' ' ' ILE . 11.3 tp -71.75 -22.63 61.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -78.17 -46.74 19.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 110.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -67.16 -31.08 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 110.284 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -87.48 12.94 11.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.354 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.8 m -56.65 -74.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.52 -18.76 3.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.93 -42.29 49.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 0.809 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 97' ' ' PHE . 16.6 pt -72.54 -38.38 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.696 ' HA ' HD11 ' A' ' 95' ' ' LEU . 4.9 ttp180 -67.58 -45.68 74.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.621 ' CB ' HH21 ' A' ' 80' ' ' ARG . 3.1 t -73.67 -36.92 65.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 ' CD ' ' A' ' 26' ' ' GLU . 7.7 tt -62.69 -37.71 87.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.599 1.187 . . . . 0.0 109.242 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 79' ' ' ILE . 8.3 mt -69.15 -62.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.188 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -41.96 -41.08 3.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.091 . . . . 0.0 110.973 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -79.52 -38.09 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.84 70.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 8.8 mtt -116.61 16.07 15.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.1 mtt85 22.34 77.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.555 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.7 tp -116.6 -148.68 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.59 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -153.05 -43.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.82 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.48 -34.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 91' ' ' ILE . 40.9 t 23.42 60.44 0.36 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.669 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.92 155.95 43.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.17 64.24 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.34 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.751 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.7 OUTLIER -69.96 90.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.397 1.06 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.5 t -68.02 162.24 24.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.4 105.98 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -95.87 120.44 36.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 111.047 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.859 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.44 91.11 4.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.933 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.416 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 4.8 t0 -94.06 86.77 5.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -91.68 -172.35 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -89.14 12.27 16.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.914 HD22 HG11 ' A' ' 65' ' ' VAL . 2.7 tp -94.37 4.0 54.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 104' ' ' VAL . 41.9 t -134.49 10.62 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 5.6 mt-10 -160.55 -39.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.262 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.01 -32.4 4.64 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.493 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -75.64 0.04 18.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 0.727 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.431 ' C ' ' OG ' ' A' ' 102' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 O-C-N 124.472 1.107 . . . . 0.0 110.368 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.565 0.221 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.7 -22.8 12.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -119.97 98.29 6.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -109.92 85.45 2.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 5.5 t80 -139.71 -177.02 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.92 5.6 72.63 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.501 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -84.61 177.59 2.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.06 1.65 7.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.508 1.793 . . . . 0.0 110.996 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -85.58 -34.44 21.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.327 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -61.06 -52.35 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -38.86 81.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -59.74 -37.93 80.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 16.8 mm-40 -70.56 -66.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.366 1.041 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -38.65 -41.86 0.73 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.949 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.8 -40.52 63.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.957 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.945 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.6 tm0? -62.05 -34.47 76.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.613 1.195 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -40.27 55.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.12 -43.12 83.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.949 HG23 ' O ' ' A' ' 15' ' ' MET . 4.0 pt -74.52 -39.43 47.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.54 1.15 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -57.73 -36.91 72.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -72.14 -60.52 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 21.2 mt -58.65 -20.43 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.94 HD11 HG11 ' A' ' 54' ' ' VAL . 8.5 tt -88.14 -16.1 34.33 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.07 -5.33 13.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.223 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -116.28 -39.91 3.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.686 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -94.68 5.51 51.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.328 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.61 ' CG2' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.49 179.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -81.57 72.69 8.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.55 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -95.18 -54.75 0.22 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.62 1.2 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.07 -23.57 13.56 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.772 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD3' ' CD1' ' A' ' 32' ' ' LEU . 14.4 ttt180 -77.59 -42.0 36.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -87.41 10.74 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 35.82 55.53 1.09 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.587 1.179 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.641 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 14.4 mtm -150.82 177.47 10.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.415 0.715 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.15 83.93 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.582 1.176 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.634 HG22 ' CD2' ' A' ' 56' ' ' PHE . 45.1 p -53.02 156.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.594 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.9 m -133.4 162.43 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.3 t -123.26 79.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.67 23.73 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.01 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.28 133.59 2.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.606 1.191 . . . . 0.0 111.043 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.945 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -150.83 132.83 5.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 0.783 . . . . 0.0 109.286 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 20.5 mt-10 -139.66 126.92 21.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -131.95 106.66 8.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.577 1.173 . . . . 0.0 110.944 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.749 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -111.37 107.45 16.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.865 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -99.83 -6.09 27.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -53.41 -19.7 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.37 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.06 -70.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.739 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.8 63.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.231 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.749 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 52.2 p90 -156.7 130.89 8.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.567 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.7 163.67 30.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.741 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -142.31 104.0 4.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.609 1.193 . . . . 0.0 109.35 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -102.41 124.9 56.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.487 ' O ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -89.3 151.88 21.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.373 1.046 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.94 HG11 HD11 ' A' ' 23' ' ' LEU . 1.3 m -153.73 125.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.62 1.2 . . . . 0.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.594 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -113.71 136.47 52.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.449 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.634 ' CD2' HG22 ' A' ' 36' ' ' THR . 0.6 OUTLIER -130.67 159.45 37.19 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.519 1.137 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.2 tp -92.83 16.78 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.861 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -57.42 -30.34 64.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 1.1 t70 -40.24 -41.37 1.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 59' ' ' ASP . 2.6 mtmt -39.9 -43.72 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.64 118.82 24.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.0 tt0 -67.32 -21.15 65.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.91 -44.13 66.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.374 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.19 -19.35 47.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.861 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.18 -41.75 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.6 1.187 . . . . 0.0 109.26 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 10.6 tttm -75.84 -50.18 15.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.54 -51.76 61.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.34 -60.67 8.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.3 tt -55.85 -37.32 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.469 0.746 . . . . 0.0 109.335 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' LYS . 5.7 ttpp -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.58 62.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 56' ' ' PHE . 21.3 mt -72.78 -25.91 61.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.355 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -51.92 9.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.356 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -63.19 -31.93 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.242 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.0 15.74 10.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.47 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 3.2 t -55.25 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.59 -19.23 4.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.54 -43.29 49.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 0.777 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.644 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.0 pt -71.32 -39.78 72.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.864 ' HA ' HD11 ' A' ' 95' ' ' LEU . 33.0 ttp85 -66.61 -46.92 74.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.7 t -71.18 -38.91 72.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.999 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.686 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.7 tt -60.47 -37.33 80.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 109.227 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 79' ' ' ILE . 6.6 mp -68.45 -59.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.089 . . . . 0.0 109.298 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.68 -41.3 5.55 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.52 1.137 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -78.67 -39.85 35.64 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 0.708 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.94 -30.98 71.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.586 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.9 mtm -113.52 15.41 19.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.586 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.0 mtm180 22.2 83.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 110.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.669 HD23 ' CG1' ' A' ' 91' ' ' ILE . 5.7 tp -126.58 -148.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -155.19 -41.57 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.865 HG21 ' HG2' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -36.78 -34.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.602 ' C ' ' O ' ' A' ' 91' ' ' ILE . 94.3 t 23.59 60.21 0.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.67 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -74.95 157.56 42.89 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.577 1.83 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -66.9 65.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -69.16 91.62 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.741 HG22 ' HA ' ' A' ' 51' ' ' LYS . 14.7 t -68.03 161.56 26.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.6 ' CE1' HD12 ' A' ' 79' ' ' ILE . 0.1 OUTLIER -117.49 104.65 11.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.989 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.453 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -93.15 119.83 32.78 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -101.6 93.01 5.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 5.4 t0 -98.43 87.89 3.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.411 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -95.31 -173.05 2.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.414 ' OG ' ' HB3' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -87.23 16.2 5.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.945 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' N ' ' HB2' ' A' ' 59' ' ' ASP . 1.3 tp -98.8 2.2 46.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.334 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.59 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.3 t -135.11 6.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.568 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 0.5 OUTLIER -154.29 -40.28 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.604 1.19 . . . . 0.0 110.318 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.18 -20.78 31.49 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.568 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.0 mtm -103.05 17.02 25.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 6.1 mmt180 . . . . . 0 C--N 1.327 -0.412 0 O-C-N 124.355 1.035 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 29.2 ttp . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.453 0.168 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.546 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 172.57 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.261 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -119.47 88.9 3.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.67 86.81 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.235 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.485 ' O ' ' HB2' ' A' ' 10' ' ' ARG . 6.5 t80 -143.74 -171.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.53 3.01 71.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 111.051 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.528 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -81.42 178.84 2.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 110.259 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.528 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.11 1.22 8.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.466 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -85.44 -26.12 26.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.423 1.077 . . . . 0.0 110.245 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.4 tmm_? -70.98 -49.72 42.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.232 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -40.54 89.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' HA ' ' HE1' ' A' ' 43' ' ' MET . . . -61.71 -41.41 97.58 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -69.12 -63.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.335 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.94 -45.18 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.967 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -72.73 -38.91 67.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.48 1.112 . . . . 0.0 111.033 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.906 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.64 -33.29 74.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -76.28 -42.66 44.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.359 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.22 -41.99 89.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -73.97 -44.21 51.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -53.57 -38.17 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.13 -56.8 5.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.325 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.558 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 69.6 mt -58.31 -22.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.776 HD21 ' CE1' ' A' ' 97' ' ' PHE . 7.1 tp -87.67 -16.09 35.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 1.8 mt-30 -110.08 -7.85 14.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.366 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.86 -56.84 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.851 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -69.4 -11.25 60.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -97.95 179.26 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.676 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -103.25 69.59 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.149 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.84 -50.95 0.3 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -75.03 -1.35 11.12 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.064 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.668 ' HD3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -92.52 -34.92 13.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD12 ' HD3' ' A' ' 31' ' ' ARG . 4.3 mp -77.56 -20.39 54.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.6 18.26 55.19 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -126.01 165.38 18.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 0.794 . . . . 0.0 111.053 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.71 80.95 1.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.5 p -45.42 169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.401 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.605 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.6 m -148.33 163.72 36.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.403 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -128.16 80.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.29 33.39 0.89 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 1.165 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.14 135.51 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.362 1.039 . . . . 0.0 110.959 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.8 p -155.06 132.26 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.759 . . . . 0.0 109.36 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.2 mm-40 -139.27 127.34 22.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.226 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.567 ' HE1' ' HA ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -132.2 107.8 8.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 111.034 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.725 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -108.38 107.83 18.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.668 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.48 -3.28 28.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.77 -16.63 29.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -143.92 -72.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.05 62.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.382 1.051 . . . . 0.0 109.294 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.725 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 49.9 p90 -158.86 137.55 11.02 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.504 1.128 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.884 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.75 162.66 34.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.53 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -144.55 108.02 4.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG22 HG23 ' A' ' 41' ' ' VAL . 3.7 t -105.13 150.06 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -111.97 144.04 41.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.96 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.155 HG21 ' CE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -143.66 118.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.605 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -110.12 129.55 55.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.434 1.084 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.916 ' CE2' HD13 ' A' ' 72' ' ' LEU . 6.5 m-85 -119.74 169.32 10.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.12 21.1 17.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.57 1.169 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.837 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.07 -28.55 69.68 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 13.8 t70 -38.62 -42.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -38.75 -42.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 117.24 21.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.1 tt0 -66.85 -19.3 65.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -42.49 57.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.401 ' O ' ' HA3' ' A' ' 68' ' ' GLY . . . -80.51 -20.53 43.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.58 -42.34 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 69' ' ' ILE . 1.9 tttm -72.94 -56.49 5.09 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.4 -53.44 54.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.587 1.179 . . . . 0.0 109.25 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 64' ' ' ALA . . . -49.86 -61.41 5.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.52 ' O ' ' CG ' ' A' ' 73' ' ' GLN . 5.8 tt -53.48 -30.79 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -68.34 -34.38 76.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.34 -45.06 23.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -70.25 -19.77 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.52 ' CG ' ' O ' ' A' ' 69' ' ' ILE . 41.2 mt-30 -80.05 -51.88 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.584 1.178 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -65.2 -28.5 69.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 110.257 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -84.56 5.1 29.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.454 ' O ' HG12 ' A' ' 79' ' ' ILE . 26.2 m -52.45 -74.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.998 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.04 -20.4 0.49 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.557 1.16 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -74.72 -44.06 51.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.903 ' O ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -70.98 -37.65 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -68.6 -46.09 70.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.4 m -73.63 -35.32 65.3 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.585 1.178 . . . . 0.0 109.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.851 HD22 ' HG2' ' A' ' 26' ' ' GLU . 5.6 tt -65.25 -34.37 78.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 79' ' ' ILE . 7.5 mp -69.94 -62.03 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -43.29 -47.46 6.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 mtpt -72.56 -41.49 65.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.356 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.19 -33.75 72.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.067 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' ' C ' ' A' ' 88' ' ' ARG . 13.7 ptp -110.74 12.29 22.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 0.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.584 ' C ' ' O ' ' A' ' 87' ' ' MET . 10.4 mtm180 23.45 87.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.316 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.536 ' HA ' HD12 ' A' ' 89' ' ' LEU . 4.6 tp -125.87 -153.07 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.366 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.728 ' HE ' HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -145.24 -44.57 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.728 HG23 ' HE ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -37.58 -37.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ILE . 47.4 t 24.25 60.03 0.39 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD3' HD12 ' A' ' 91' ' ' ILE . 18.1 Cg_endo -74.99 155.13 42.94 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.538 1.81 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.76 66.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 110.214 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.884 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -69.33 89.3 0.48 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 51' ' ' LYS . 3.8 t -67.7 166.24 15.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 1.155 ' CE2' HG21 ' A' ' 54' ' ' VAL . 1.7 t80 -122.71 113.03 18.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.497 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -98.88 112.22 24.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.926 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.519 ' CZ ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -86.77 104.63 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.45 86.11 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.42 1.075 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -94.62 -173.18 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -91.03 15.82 10.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.047 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.62 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -102.29 5.48 40.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 109.339 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -132.67 5.03 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.552 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 42.3 mt-10 -155.93 -37.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.04 -3.57 87.0 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.597 1.185 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.552 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 mtm -124.75 25.31 7.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.506 ' CD ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.466 0.174 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.52 146.17 45.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.89 86.97 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.477 1.111 . . . . 0.0 109.374 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.26 86.68 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.558 1.161 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 1.7 t80 -143.47 125.96 15.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 5' ' ' PHE . . . -37.54 -27.87 0.03 OUTLIER Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.594 1.184 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.09 178.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.431 0.724 . . . . 0.0 110.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 17.9 Cg_endo -74.99 5.36 4.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 110.901 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.8 tp60 -77.73 -39.39 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 4.9 tmm_? -58.19 -52.08 67.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -39.65 86.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.78 89.34 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 0.9 OUTLIER -70.84 -65.0 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.228 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -38.62 -44.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.408 1.068 . . . . 0.0 110.223 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 1.005 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -73.01 -39.99 65.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.683 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -61.69 -33.2 73.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.51 -41.13 47.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -67.47 -37.52 83.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.005 HG23 ' O ' ' A' ' 15' ' ' MET . 4.9 pt -75.86 -44.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' GLN . . . -57.05 -34.5 68.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.09 -57.61 4.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.345 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 57.5 mt -57.49 -24.72 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.816 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 11.8 tp -87.12 -14.59 40.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -109.96 -7.66 14.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -114.86 -50.52 2.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.738 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -76.81 -11.53 59.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.643 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -96.3 178.88 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.65 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -104.08 72.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.499 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -84.17 -52.88 0.54 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.0 0.75 8.53 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 8.2 ttt180 -90.16 -31.59 17.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.562 1.164 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.86 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.6 mp -81.84 -24.44 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.77 21.27 40.45 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.425 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mpp? -143.08 152.39 41.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 0.763 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 tpp -91.61 117.74 30.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -80.46 158.01 26.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.563 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -133.07 168.39 18.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.345 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' N ' ' CG2' ' A' ' 37' ' ' THR . 49.0 t -132.67 91.08 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.36 18.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.36 131.34 2.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.01 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.5 p -143.14 127.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 0.753 . . . . 0.0 109.237 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -130.46 122.68 28.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.616 ' CE ' HD13 ' A' ' 19' ' ' ILE . 2.7 mmm -129.93 104.43 7.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -109.95 105.08 14.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.051 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.958 ' CD ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -103.17 -4.97 23.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -52.59 -20.82 3.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.183 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -147.68 -70.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.627 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.54 62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.6 m-85 -147.84 144.26 28.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.786 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -158.21 163.35 37.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HB3' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -150.19 109.08 3.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.62 1.2 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.611 ' HB ' HD21 ' A' ' 95' ' ' LEU . 4.2 p -104.73 131.06 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.1 OUTLIER -101.54 144.12 30.68 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -144.46 122.01 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.563 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.91 130.86 53.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.376 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CZ ' ' HB ' ' A' ' 54' ' ' VAL . 3.4 m-85 -123.63 163.7 20.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 110.957 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.4 tp -95.25 16.19 17.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.862 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -58.04 -30.86 66.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -38.89 -42.85 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.7 mtmt -39.05 -42.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.48 117.25 21.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' O ' HG12 ' A' ' 65' ' ' VAL . 43.7 tt0 -66.89 -20.1 65.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -42.91 63.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.5 -20.12 44.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.73 -42.47 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.69 -52.92 10.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.71 -53.11 56.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.79 -61.46 6.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.45 1.094 . . . . 0.0 110.979 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.581 HD11 ' CG ' ' A' ' 99' ' ' TYR . 5.1 tt -56.39 -29.41 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.74 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 25.8 mttt -67.55 -33.4 74.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.16 -41.2 29.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -70.27 -23.9 62.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.16 -52.0 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.42 -29.69 70.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.407 1.067 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.883 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -93.53 12.55 24.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.412 ' O ' HG12 ' A' ' 79' ' ' ILE . 12.7 m -56.27 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 109.984 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.34 -24.86 1.74 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.545 1.153 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -70.41 -43.99 68.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.588 0.816 . . . . 0.0 110.943 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -66.42 -39.67 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.666 HH21 ' HA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -62.57 -43.22 99.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.453 1.096 . . . . 0.0 110.32 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -76.06 -30.97 58.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.738 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -61.32 -45.31 94.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.715 HD23 HG22 ' A' ' 19' ' ' ILE . 9.4 mp -69.76 -48.44 59.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.936 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -52.09 -44.81 57.12 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.607 1.192 . . . . 0.0 111.052 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -77.6 -42.3 35.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 82' ' ' LEU . . . -60.5 -31.08 70.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.581 ' O ' ' C ' ' A' ' 88' ' ' ARG . 1.5 ttm -119.0 20.14 12.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.581 ' C ' ' O ' ' A' ' 87' ' ' MET . 27.7 mtp180 23.22 89.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.936 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -125.28 167.69 14.54 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' ILE . 3.8 ptt-85 -116.69 -40.66 3.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.958 HD13 ' CD ' ' A' ' 45' ' ' ARG . 1.6 pt -39.15 -32.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 92' ' ' VAL . 75.1 t 23.68 59.4 0.35 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.896 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.7 Cg_endo -74.89 153.22 42.2 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.591 1.837 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.666 ' HA ' HH21 ' A' ' 80' ' ' ARG . 5.0 tt0 -67.31 69.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.786 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -71.0 89.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.478 HG22 ' HB3' ' A' ' 51' ' ' LYS . 1.3 t -67.18 165.9 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -118.87 112.87 20.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.552 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -106.16 115.46 30.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.581 ' CG ' HD11 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -93.53 110.32 21.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.944 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -112.56 88.11 2.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.236 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -98.76 -173.58 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 109.22 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 102' ' ' SER . 1.2 t -89.6 15.4 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.959 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.69 HD22 HG11 ' A' ' 65' ' ' VAL . 1.3 tp -99.88 3.1 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.7 t -130.27 -0.19 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 9.4 mt-10 -147.51 -41.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.49 9.41 72.39 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.456 1.098 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.4 OUTLIER -135.83 14.36 3.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.501 ' CD ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.429 0.156 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.65 -172.33 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 109.283 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.63 86.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.225 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.76 85.21 6.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 7' ' ' ARG . 2.2 t80 -144.85 136.37 25.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.946 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -39.39 -25.86 0.06 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.497 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.19 177.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.305 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.0 5.04 4.22 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.5 1.789 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.71 -39.99 42.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.399 1.062 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.99 -44.49 87.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 15' ' ' MET . 30.7 t -74.89 -34.75 33.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.404 1.065 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.529 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 5.4 mm100 -66.82 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.97 -42.03 1.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.907 ' O ' HG23 ' A' ' 19' ' ' ILE . 13.5 mtp -75.58 -36.79 60.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.643 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tt0 -64.06 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -77.15 -42.92 35.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -66.8 -41.28 87.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.907 HG23 ' O ' ' A' ' 15' ' ' MET . 5.4 pt -73.37 -49.27 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -52.59 -36.27 55.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -69.43 -60.67 2.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 83' ' ' LEU . 44.4 mt -57.64 -21.19 15.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 13.7 tp -87.35 -17.17 33.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 6.4 mt-30 -111.65 -6.72 14.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -113.55 -57.65 2.26 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.632 1.208 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.815 ' OE2' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -68.54 -18.24 64.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.971 HD13 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.2 178.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.638 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -100.19 72.37 1.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.541 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.26 -49.87 0.56 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.5 Cg_endo -74.91 -14.73 21.3 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.558 1.82 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -80.32 -42.62 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.168 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 28' ' ' LYS . 8.5 mt -71.23 -24.1 62.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 85.66 28.95 28.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.8 mpp? -145.35 172.22 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 0.781 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 ttm -115.96 105.15 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.667 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.2 p -72.37 158.1 36.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 110.399 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.456 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 2.0 m -135.07 161.97 33.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -114.63 88.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.37 22.77 2.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -174.11 138.63 4.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG11 ' HG3' ' A' ' 16' ' ' GLN . 3.0 p -149.84 124.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.601 0.824 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -139.07 136.7 35.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.24 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.474 ' CE ' HD13 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -139.18 106.26 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -103.97 106.93 17.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.892 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' CG ' HD13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -100.58 -8.07 23.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.176 . . . . 0.0 110.205 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.655 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -48.28 -23.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.228 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.655 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -144.03 -72.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.617 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 168.64 60.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.577 1.173 . . . . 0.0 109.272 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 4.0 m-85 -147.53 130.86 16.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -136.15 159.8 40.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.402 1.064 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -141.81 115.62 9.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG2' HD12 ' A' ' 19' ' ' ILE . 0.5 OUTLIER -114.17 119.63 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' C ' HG22 ' A' ' 54' ' ' VAL . 28.7 t80 -85.28 153.9 22.28 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.628 1.205 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HB ' ' CE1' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -158.01 130.15 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.11 130.57 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.372 1.045 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.667 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.1 m-85 -120.86 159.8 24.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 111.065 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 tp -104.43 28.25 7.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.232 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.86 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -68.14 -24.96 65.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 2.7 t70 -43.0 -39.29 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -39.38 -43.85 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.6 118.62 24.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 65' ' ' VAL . 24.6 tt0 -67.01 -19.59 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.35 -41.73 60.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.29 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.86 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -77.16 -41.34 30.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -50.37 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.41 -50.48 59.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.98 -61.28 7.54 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.834 HD11 ' HD2' ' A' ' 99' ' ' TYR . 1.5 tt -53.26 -38.37 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.59 -33.86 74.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.6 -41.36 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.971 HD11 HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -66.68 -20.44 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -49.79 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -61.0 -28.0 68.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.232 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -95.9 16.08 18.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.496 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 28.5 p -55.17 -74.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.27 -20.15 4.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -73.46 -46.76 46.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.58 0.812 . . . . 0.0 111.001 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.566 HG22 ' OE1' ' A' ' 26' ' ' GLU . 14.4 pt -66.27 -39.98 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.604 ' HA ' HD12 ' A' ' 83' ' ' LEU . 18.5 ttp180 -62.5 -45.08 94.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.296 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -27.36 61.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.815 HD23 ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.9 -43.21 93.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -67.68 -60.8 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.383 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.749 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -43.3 -44.26 6.18 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -76.16 -38.96 56.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' CB ' HD13 ' A' ' 22' ' ' ILE . . . -59.71 -32.07 70.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.212 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.576 ' O ' ' C ' ' A' ' 88' ' ' ARG . 10.6 ptp -121.95 21.62 10.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.576 ' C ' ' O ' ' A' ' 87' ' ' MET . 0.2 OUTLIER 22.85 85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.749 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -118.23 172.67 7.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.611 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -119.94 -43.18 2.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.33 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.992 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.6 pt -40.75 -29.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 90' ' ' ARG . 59.2 t 24.64 59.31 0.4 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.992 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.2 Cg_endo -75.06 158.26 42.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -68.52 61.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.815 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -68.99 87.38 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' HA ' ' A' ' 51' ' ' LYS . 5.0 t -71.96 165.09 24.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.841 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 15.5 p90 -123.69 109.56 13.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.66 113.54 25.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.841 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.94 94.35 6.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 111.011 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -100.98 93.85 5.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.369 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.461 HD21 HD12 ' A' ' 69' ' ' ILE . 24.1 m-20 -89.79 -171.16 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 102' ' ' SER . 0.2 OUTLIER -90.77 16.39 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.017 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.85 6.21 45.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 104' ' ' VAL . 9.6 t -131.58 3.28 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 63.6 mt-10 -155.26 -37.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 110.314 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 89.6 -9.14 78.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.529 1.143 . . . . 0.0 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -149.77 25.29 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 0.731 . . . . 0.0 110.964 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.409 ' HB3' ' O ' ' A' ' 101' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.421 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.605 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 9.5 ttp . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 120.442 0.163 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 168.69 76.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.677 1.235 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 3.4 tptt -147.73 100.28 3.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.36 85.45 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 2.0 t80 -143.75 -174.27 4.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.128 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.91 -0.16 72.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -76.81 178.27 2.13 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.516 0.774 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.5 Cg_endo -75.01 1.83 7.31 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.425 1.75 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 2.3 tp60 -82.16 -40.4 21.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.336 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 5' ' ' PHE . 16.1 ttt85 -56.12 -61.04 2.66 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.453 1.095 . . . . 0.0 110.349 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -41.67 17.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.26 74.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 109.227 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.531 ' N ' ' NE2' ' A' ' 13' ' ' GLN . 3.1 mm-40 -66.87 -68.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 1.9 mm-40 -41.03 -39.98 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.596 1.185 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.972 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -75.03 -38.25 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.611 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -64.64 -35.79 82.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.9 ptmt -75.69 -37.91 59.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.6 tp10 -69.21 -41.8 76.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.972 HG23 ' O ' ' A' ' 15' ' ' MET . 3.2 pt -75.8 -39.35 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.89 -35.61 77.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -72.06 -58.64 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG23 ' HB3' ' A' ' 26' ' ' GLU . 20.0 mt -58.92 -20.8 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.761 HD11 HG11 ' A' ' 54' ' ' VAL . 6.6 tt -86.62 -18.26 31.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -110.86 -7.61 14.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.431 1.082 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -111.37 -61.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.902 ' OE1' HD23 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -65.91 -14.37 61.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.044 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.71 -179.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.817 ' HE3' HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -100.25 73.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.98 -50.38 0.64 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.0 Cg_endo -75.01 -16.4 20.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.039 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.453 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 2.6 ttt180 -77.22 -25.91 52.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.6 mt -87.66 -22.29 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.62 19.31 60.22 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.433 1.083 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 14.9 mtm -142.55 165.5 27.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 0.781 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -103.88 121.25 42.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 56' ' ' PHE . 62.6 p -84.95 164.8 18.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.511 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -141.56 168.0 20.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 53' ' ' TYR . 46.3 t -127.21 89.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.32 30.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.893 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.85 143.83 5.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 52' ' ' VAL . 11.0 p -152.2 138.7 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' LYS . 10.6 mt-10 -144.93 134.78 23.65 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.555 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -140.56 109.03 5.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.788 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -110.52 107.38 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.619 ' HG2' HG21 ' A' ' 91' ' ' ILE . 3.6 mtp180 -100.48 -1.4 35.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -16.37 29.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.442 1.089 . . . . 0.0 109.211 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.729 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.3 tp -144.81 -71.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.3 57.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.788 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 54.5 p90 -151.81 135.55 16.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -141.86 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -143.21 120.75 11.74 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.338 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.707 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.66 136.1 56.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.386 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.62 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.35 146.56 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.604 1.19 . . . . 0.0 110.993 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.761 HG11 HD11 ' A' ' 23' ' ' LEU . 22.9 m -146.67 119.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.374 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -106.97 124.24 49.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.5 m-85 -114.67 161.85 17.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 110.974 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' SD ' ' A' ' 34' ' ' MET . 9.7 tp -95.9 16.3 18.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.873 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.38 -32.31 71.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.318 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.7 OUTLIER -40.72 -34.53 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 1.052 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -43.08 -46.31 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.9 122.92 33.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.458 ' HG3' HD11 ' A' ' 103' ' ' LEU . 3.8 tt0 -67.5 -23.22 65.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.362 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -42.78 71.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.346 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.21 -18.83 48.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.873 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.96 -43.19 52.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.061 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -48.35 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.7 -52.12 53.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.58 -61.1 7.78 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.757 HD11 ' CD1' ' A' ' 99' ' ' TYR . 3.6 tt -53.14 -34.38 21.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -64.23 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.23 63.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.044 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -70.91 -21.73 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -45.74 18.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.07 -27.71 65.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.594 ' HB3' ' NZ ' ' A' ' 28' ' ' LYS . . . -95.23 17.97 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 109.291 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 11.2 t -58.18 -74.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.954 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.87 -21.24 2.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.423 1.077 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.39 -46.04 57.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.704 HG22 ' OE2' ' A' ' 26' ' ' GLU . 13.5 pt -67.83 -39.63 82.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.395 1.06 . . . . 0.0 109.227 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.531 ' HA ' HD12 ' A' ' 83' ' ' LEU . 10.7 ttp180 -63.37 -44.91 93.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.7 m -71.18 -36.54 72.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 1.185 . . . . 0.0 109.979 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.902 HD23 ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -58.83 -41.94 88.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.381 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 80' ' ' ARG . 2.1 mt -67.09 -65.62 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -40.44 -51.01 3.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -39.65 79.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.72 -31.09 69.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -113.37 12.56 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 16.7 mtt180 22.36 74.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.478 1.112 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.84 HD23 ' CG1' ' A' ' 91' ' ' ILE . 1.4 tp -112.64 -153.48 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.621 ' O ' HG23 ' A' ' 92' ' ' VAL . 1.4 ptm180 -142.91 -46.27 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.84 ' CG1' HD23 ' A' ' 89' ' ' LEU . 1.1 pt -39.92 -33.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 90' ' ' ARG . 28.9 t 23.4 61.73 0.37 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.06 157.85 42.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.99 59.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.86 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -69.83 90.21 0.6 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.384 1.053 . . . . 0.0 109.274 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.7 t -82.97 166.23 19.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.366 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.994 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.5 p90 -125.37 110.73 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.62 114.35 25.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.603 1.189 . . . . 0.0 111.017 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.757 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -86.34 108.83 18.61 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.476 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -114.02 97.19 6.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -100.87 -178.67 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.167 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.511 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -79.84 7.81 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.913 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.829 HD22 HG11 ' A' ' 65' ' ' VAL . 1.6 tp -91.51 2.53 56.37 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.601 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 0.9 OUTLIER -137.73 7.07 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.358 1.036 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.564 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 8.5 mt-10 -152.22 -37.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.415 1.072 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.97 -19.51 48.53 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.433 1.083 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.564 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.6 ptp -112.54 18.74 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.402 0.707 . . . . 0.0 110.992 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 101' ' ' ASN . 11.5 mmt180 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.433 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . 8.7 mtp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.459 0.171 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.1 116.97 19.25 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.28 86.4 1.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.81 84.79 2.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.494 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.4 OUTLIER -140.42 124.49 17.51 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 1.111 . . . . 0.0 111.079 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.07 -27.21 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -56.38 178.8 0.13 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 0.0 110.303 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -75.09 5.43 4.03 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.525 1.803 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.88 -41.8 35.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -56.17 -53.63 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.427 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -61.35 -40.42 86.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.99 87.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 11.6 mm-40 -70.34 -65.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.5 OUTLIER -38.09 -44.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.976 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -71.59 -40.8 69.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.983 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' HG11 ' A' ' 41' ' ' VAL . 2.1 tt0 -61.79 -32.96 73.28 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -41.56 55.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.562 1.164 . . . . 0.0 109.228 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.9 -39.18 83.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.976 HG23 ' O ' ' A' ' 15' ' ' MET . 2.7 pt -76.8 -39.12 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -60.44 -33.18 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.03 -60.06 2.46 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' A' ' 26' ' ' GLU . 18.7 mt -59.2 -20.24 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.626 1.204 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.083 HD11 ' CG1' ' A' ' 54' ' ' VAL . 9.5 tt -85.21 -16.57 39.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -112.66 -13.91 13.22 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -105.42 -65.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.339 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.677 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -61.09 -18.29 57.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.702 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.85 -178.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.702 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -107.85 70.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.211 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.09 -50.86 0.69 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.01 1.63 7.53 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.434 ' CB ' ' HB2' ' A' ' 28' ' ' LYS . 1.8 ttt180 -93.66 -52.45 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD11 ' NZ ' ' A' ' 28' ' ' LYS . 10.8 mt -66.62 -22.51 66.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.07 31.59 19.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.429 ' O ' ' OD2' ' A' ' 29' ' ' ASP . 3.9 mpp? -144.85 178.36 8.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 111.018 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.0 106.17 12.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.623 HG22 ' CD2' ' A' ' 56' ' ' PHE . 64.6 p -69.25 155.0 41.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.627 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -129.7 159.58 36.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.3 p -117.72 79.45 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.76 33.3 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.644 1.215 . . . . 0.0 110.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' HA3' ' CB ' ' A' ' 53' ' ' TYR . . . 179.82 134.63 2.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.55 1.156 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.705 HG11 ' HG3' ' A' ' 16' ' ' GLN . 2.5 p -149.51 123.64 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 0.719 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.15 127.47 32.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.225 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -132.0 106.52 8.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.642 1.214 . . . . 0.0 111.047 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.666 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -114.99 109.2 17.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.378 1.049 . . . . 0.0 110.005 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HG2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.99 4.75 40.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -49.22 -32.45 10.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.731 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -142.01 -61.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 161.54 74.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.731 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -163.83 132.72 3.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.947 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -135.59 165.3 25.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.655 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -141.61 106.69 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.27 132.41 50.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.518 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 43.0 t80 -95.2 151.11 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.083 ' CG1' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -154.07 123.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.627 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -114.98 132.45 56.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 110.451 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.623 ' CD2' HG22 ' A' ' 36' ' ' THR . 1.4 m-85 -126.7 170.54 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -109.0 10.94 26.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.84 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -49.59 -26.46 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' LYS . 14.2 t70 -39.86 -41.99 1.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.374 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' ASP . 18.0 mtpt -39.52 -42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.397 1.06 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.39 116.49 19.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' HG3' HD11 ' A' ' 103' ' ' LEU . 1.7 tt0 -66.88 -19.15 65.68 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.36 -43.57 60.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.4 45.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.84 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.37 -43.63 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.071 . . . . 0.0 109.215 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -74.9 -50.4 17.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.382 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.5 -61.11 7.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.407 1.067 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.602 HG22 ' O ' ' A' ' 65' ' ' VAL . 3.5 tt -54.21 -33.25 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -67.25 -34.01 76.53 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.72 -34.58 58.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 0.0 109.209 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.923 HD11 ' CE2' ' A' ' 97' ' ' PHE . 64.5 tp -75.91 -25.29 55.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -76.8 -44.58 32.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -72.92 -30.3 63.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -85.28 9.88 14.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' HD13 ' A' ' 79' ' ' ILE . 23.0 m -53.61 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.4 -22.61 0.64 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -69.78 -47.13 64.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.588 0.817 . . . . 0.0 110.954 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -68.74 -34.5 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.701 ' HA ' HD11 ' A' ' 95' ' ' LEU . 43.6 ttp85 -65.93 -42.38 90.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.6 t -76.92 -33.24 57.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -62.26 -40.31 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 79' ' ' ILE . 2.5 mt -71.17 -56.45 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.919 ' HA2' HD22 ' A' ' 89' ' ' LEU . . . -48.06 -44.46 25.93 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.439 1.087 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -76.48 -40.58 49.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -61.45 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.577 ' O ' ' C ' ' A' ' 88' ' ' ARG . 2.1 mtm -121.18 21.49 11.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.577 ' C ' ' O ' ' A' ' 87' ' ' MET . 30.6 mtp180 22.71 85.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.107 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.919 HD22 ' HA2' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -121.35 -179.52 4.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.205 . . . . 0.0 109.262 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.538 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.4 ptt-85 -129.63 -40.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.854 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.5 pt -40.1 -31.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.597 ' C ' ' O ' ' A' ' 91' ' ' ILE . 49.5 t 23.61 60.82 0.37 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.588 1.18 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.854 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.5 Cg_endo -74.98 155.9 43.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.598 1.841 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.73 64.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.816 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.7 pp -68.81 91.39 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 51' ' ' LYS . 15.1 t -66.43 171.86 4.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.923 ' CE2' HD11 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -127.23 109.88 12.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -92.18 112.27 24.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 111.015 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.4 95.17 6.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 111.026 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -103.89 88.51 3.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.385 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.518 ' N ' ' ND2' ' A' ' 101' ' ' ASN . 0.2 OUTLIER -89.71 -170.05 2.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.3 15.28 7.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD11 ' HG3' ' A' ' 62' ' ' GLU . 3.6 tp -95.87 4.89 52.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.357 1.035 . . . . 0.0 109.226 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.596 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -136.02 6.73 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.6 1.187 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.52 ' HB2' ' HE2' ' A' ' 107' ' ' MET . 2.0 mt-10 -155.01 -36.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.16 5.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 111.073 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' ' HB2' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -137.91 27.79 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.967 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 107' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.46 0.171 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.2 168.37 5.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 4.5 tttt -146.84 82.59 1.57 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.54 1.15 . . . . 0.0 109.216 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -70.65 84.66 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 110.274 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.614 ' CD1' ' O ' ' A' ' 5' ' ' PHE . 2.4 t80 -118.25 8.47 12.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 74.93 -20.96 1.73 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.596 ' HB3' ' HD2' ' A' ' 8' ' ' PRO . 5.0 mtt-85 -74.37 -179.35 0.97 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.5 0.765 . . . . 0.0 110.335 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.596 ' HD2' ' HB3' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.02 3.44 5.63 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 1.8 mp0 -85.78 -31.92 22.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.499 ' CG ' ' HA ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -50.54 -57.58 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.241 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.1 t -69.14 -41.77 81.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 9' ' ' GLN . . . -50.56 -39.15 48.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.523 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 1.6 mm100 -73.69 -64.96 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.54 -42.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 110.321 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.964 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.92 -38.31 61.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.951 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.728 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.5 tm0? -62.6 -35.43 79.49 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.584 1.177 . . . . 0.0 110.377 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 4.0 ptmt -76.2 -39.04 55.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.51 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.3 tp10 -68.13 -44.42 76.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.389 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.964 HG23 ' O ' ' A' ' 15' ' ' MET . 3.7 pt -72.41 -45.09 61.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -55.2 -38.32 68.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -67.28 -60.3 2.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.603 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 92.6 mt -58.4 -21.56 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.774 ' CD1' HD12 ' A' ' 79' ' ' ILE . 18.9 tp -88.09 -16.46 33.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -110.86 -7.67 14.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.644 1.215 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.7 -54.67 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.85 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -74.61 -3.25 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.918 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -99.51 -179.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.486 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -99.66 70.95 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.548 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -86.12 -49.67 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.4 Cg_endo -74.96 -6.3 17.9 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.477 1.777 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -85.77 -42.41 14.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' O ' ' SD ' ' A' ' 34' ' ' MET . 62.8 mt -70.77 -26.15 63.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 89.39 25.33 28.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.058 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 33' ' ' GLY . 3.8 mpp? -142.65 161.58 37.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.99 86.58 2.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.886 HG22 ' CD1' ' A' ' 56' ' ' PHE . 23.4 p -46.33 167.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.585 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.4 m -141.89 162.79 34.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.414 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 38' ' ' VAL . 13.3 p -128.04 80.34 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.33 29.81 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.98 133.8 2.46 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.728 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.6 p -149.66 134.14 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 4.4 mt-10 -135.29 126.55 28.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.583 ' CE ' HD13 ' A' ' 19' ' ' ILE . 3.0 mmm -132.22 106.6 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.752 ' CB ' ' CE1' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -113.73 106.53 14.6 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.448 1.093 . . . . 0.0 109.962 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.92 ' HG2' HG21 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -101.9 -4.39 26.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -57.82 -17.19 14.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.328 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -143.42 -72.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 159.91 62.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.752 ' CE1' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -157.64 136.8 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.75 171.51 14.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -151.3 103.17 2.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.7 p -99.24 134.67 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CD1' ' HB3' ' A' ' 98' ' ' PHE . 0.1 OUTLIER -100.83 140.98 34.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.823 HG21 ' CE1' ' A' ' 97' ' ' PHE . 4.6 m -142.91 120.17 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.585 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -108.85 135.01 50.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.886 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.1 m-85 -126.77 166.26 17.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tp -103.6 17.92 23.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.396 1.06 . . . . 0.0 109.387 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -58.74 -26.96 64.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ASN . 1.1 t70 -39.25 -40.5 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.6 mtmt -39.87 -42.97 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -128.0 117.38 21.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.428 ' HG3' HD11 ' A' ' 103' ' ' LEU . 17.9 tt0 -66.67 -19.48 65.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -42.68 60.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.55 44.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.38 1.05 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.815 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -76.07 -43.86 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -49.86 23.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.82 -51.64 53.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.33 -61.01 7.66 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.403 1.064 . . . . 0.0 110.999 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.583 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.1 tt -54.33 -35.3 30.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -63.71 -34.44 77.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.93 -38.66 61.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.918 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -73.4 -19.88 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -80.41 -45.71 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.627 1.204 . . . . 0.0 110.321 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.76 -29.74 66.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.842 ' O ' HG23 ' A' ' 79' ' ' ILE . . . -89.5 3.78 51.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -55.17 -69.43 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.32 -20.85 5.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.93 -41.81 58.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -70.5 -39.24 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.572 ' HA ' HD11 ' A' ' 95' ' ' LEU . 23.6 ttp85 -65.29 -46.2 81.37 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -72.58 -35.27 67.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.941 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.85 HD22 ' HG2' ' A' ' 26' ' ' GLU . 4.4 tt -65.53 -32.94 74.81 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 79' ' ' ILE . 4.8 mt -71.53 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -44.24 -43.81 7.49 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -75.97 -39.78 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 0.718 . . . . 0.0 109.371 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -62.03 -29.87 70.58 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.593 1.183 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.588 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.8 OUTLIER -113.6 14.33 18.89 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.588 ' C ' ' O ' ' A' ' 87' ' ' MET . 7.4 mtm-85 22.45 73.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.647 1.217 . . . . 0.0 110.27 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.35 -154.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' ILE . 9.3 ptm180 -143.25 -43.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.92 HG21 ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -37.23 -38.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.24 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 91' ' ' ILE . 59.0 t 22.91 59.97 0.33 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.77 ' CD ' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.89 153.38 42.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.426 ' N ' ' HA ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -66.68 69.69 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.73 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -70.67 94.83 1.04 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 51' ' ' LYS . 12.2 t -66.65 160.65 25.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE1' HG21 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -110.99 102.65 11.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' HB3' ' CD1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -93.41 111.14 22.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 97' ' ' PHE . 1.0 OUTLIER -97.35 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.495 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -112.68 86.72 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.409 1.068 . . . . 0.0 109.232 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.99 -170.0 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.413 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.17 9.8 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.016 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 62' ' ' GLU . 1.3 tp -93.31 1.55 56.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.0 OUTLIER -133.66 4.15 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 10.2 mt-10 -148.77 -40.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.01 -15.28 54.22 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.505 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.7 OUTLIER -121.54 32.52 5.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 0.777 . . . . 0.0 110.975 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.456 ' NE ' ' CD ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.406 0 O-C-N 124.402 1.064 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtp . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.53 0.205 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.97 177.08 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HD3' ' CG ' ' A' ' 9' ' ' GLN . 5.6 tttt -145.88 87.14 1.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -67.64 85.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -143.85 121.76 12.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.19 -27.12 0.04 OUTLIER Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.525 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -58.03 178.79 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.393 0.702 . . . . 0.0 110.241 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.6 Cg_endo -75.02 4.88 4.36 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.501 1.79 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' CG ' ' HD3' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -77.8 -37.47 48.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.364 1.04 . . . . 0.0 110.245 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.47 -62.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' MET . 2.2 t -55.76 -43.4 73.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.07 -34.6 70.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.0 mm-40 -76.71 -71.55 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.37 -31.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.082 . . . . 0.0 110.283 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.894 ' O ' HG23 ' A' ' 19' ' ' ILE . 53.4 mtp -80.77 -44.48 18.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.591 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 2.4 tm0? -63.22 -37.53 87.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 110.186 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 1.9 ptmt -78.12 -37.81 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.618 1.199 . . . . 0.0 109.269 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 2.2 tp10 -66.73 -53.55 32.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 0.0 110.242 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 41' ' ' VAL . 2.3 pt -64.28 -42.26 94.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.648 1.217 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 16' ' ' GLN . . . -56.92 -37.98 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -65.23 -58.58 5.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.24 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.505 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.7 mt -59.29 -22.97 23.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.611 ' CD2' HG11 ' A' ' 54' ' ' VAL . 13.5 tp -86.53 -16.58 36.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -111.14 -7.21 14.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -113.85 -56.08 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.812 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -70.32 -17.57 63.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.377 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.39 177.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.672 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -101.06 70.64 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.593 1.183 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -85.33 -50.88 0.53 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -75.06 -31.92 5.73 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.461 1.769 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -21.66 64.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' ' 28' ' ' LYS . 1.3 mp -78.56 -26.34 45.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.71 11.62 49.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.531 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 3.6 mtt -128.56 -165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.412 ' HA ' ' OD2' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -136.16 78.16 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.913 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.6 p -43.05 155.43 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.525 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.2 m -137.63 161.3 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.369 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 5.8 p -121.81 73.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.3 t -43.38 -48.96 7.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' C ' HG23 ' A' ' 41' ' ' VAL . . . -155.26 171.73 33.45 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 19' ' ' ILE . 61.4 t -153.38 129.82 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.495 0.762 . . . . 0.0 109.342 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -113.53 110.78 20.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.323 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.5 104.58 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -107.87 106.84 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.075 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.548 ' NE ' HD13 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -97.91 0.72 47.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.04 -23.41 1.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.677 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -144.56 -61.85 0.37 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 164.58 80.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 37.3 m-85 -158.87 135.71 9.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.881 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -146.35 95.9 2.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.4 118.5 33.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.779 HG12 ' O ' ' A' ' 96' ' ' THR . 5.3 p -114.42 123.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 100' ' ' ASP . 0.0 OUTLIER -80.28 137.06 36.55 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.392 1.057 . . . . 0.0 110.927 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.611 HG11 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -141.85 117.48 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.525 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.33 128.07 53.29 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.913 ' CD1' HG22 ' A' ' 36' ' ' THR . 6.0 m-85 -117.81 161.25 20.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' C ' ' SD ' ' A' ' 34' ' ' MET . 11.1 tp -95.91 19.96 10.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.896 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -59.68 -33.24 71.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.51 ' CG ' ' CB ' ' A' ' 102' ' ' SER . 0.3 OUTLIER -40.53 -34.71 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.3 -49.06 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.409 1.068 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.72 126.26 41.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 29.7 tt0 -67.58 -24.67 65.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -42.61 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' HB1' HD21 ' A' ' 58' ' ' ASN . . . -80.03 -19.22 48.16 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.896 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.61 -42.94 55.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.461 1.101 . . . . 0.0 109.397 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -51.0 13.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.253 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.23 -51.49 66.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.45 -61.09 7.78 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.635 HD11 ' CD2' ' A' ' 99' ' ' TYR . 1.6 tt -53.62 -32.09 20.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -67.41 -33.41 75.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.14 -43.89 23.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -67.34 -21.8 65.62 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.359 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.446 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -80.89 -52.92 6.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.1 pp20? -57.56 -31.71 66.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -88.59 14.08 10.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.453 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 5.6 t -56.78 -74.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.7 -20.03 3.73 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.408 1.068 . . . . 0.0 111.022 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.58 -43.92 53.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 0.805 . . . . 0.0 111.025 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.771 HD11 ' CD1' ' A' ' 97' ' ' PHE . 18.4 pt -71.74 -40.7 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.6 -47.8 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.8 t -70.14 -35.64 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.812 HD22 ' HG2' ' A' ' 26' ' ' GLU . 2.6 tt -64.87 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.908 HD13 HD23 ' A' ' 95' ' ' LEU . 3.6 mt -69.13 -57.76 4.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.559 1.162 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -46.34 -49.86 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -70.92 -40.85 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.576 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.27 -32.66 70.22 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.44 1.088 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.58 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -112.07 11.91 20.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 87' ' ' MET . 6.3 mtt180 23.44 82.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.746 HD23 ' CG1' ' A' ' 91' ' ' ILE . 6.8 tp -118.41 -151.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 92' ' ' VAL . 12.8 ptt-85 -149.38 -42.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.845 HD12 ' HG3' ' A' ' 93' ' ' PRO . 0.7 OUTLIER -39.76 -28.93 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 67.8 t 26.9 57.09 0.47 Allowed Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.845 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 171.68 17.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.88 61.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 110.313 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.908 HD23 HD13 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.93 87.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.779 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -107.78 173.79 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.771 ' CD1' HD11 ' A' ' 79' ' ' ILE . 3.0 p90 -138.17 124.09 20.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.33 120.2 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 111.028 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -82.55 101.19 10.58 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.505 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -108.79 90.59 3.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -172.39 2.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.51 ' CB ' ' CG ' ' A' ' 59' ' ' ASP . 0.3 OUTLIER -91.43 14.05 15.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.669 HD22 HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -101.07 -2.21 32.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.8 t -129.8 -2.8 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.525 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.0 mt-10 -139.68 -38.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.48 19.04 64.95 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.067 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.525 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.1 ptp -155.57 29.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.457 ' NE ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.477 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 7.6 ttt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.514 0.197 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 176.11 60.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HD3' ' CG ' ' A' ' 9' ' ' GLN . 0.6 OUTLIER -147.55 95.76 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -105.63 86.7 2.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.442 1.089 . . . . 0.0 110.331 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.586 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 3.3 t80 -138.16 136.8 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.37 -25.36 0.09 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.46 1.1 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -57.39 178.07 0.18 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.404 0.708 . . . . 0.0 110.214 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.3 Cg_endo -75.0 4.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -77.23 -42.44 37.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -55.51 -58.79 6.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 15' ' ' MET . 0.3 OUTLIER -53.38 -40.69 41.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 16' ' ' GLN . . . -61.55 -39.33 90.69 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 109.393 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.54 HE21 ' N ' ' A' ' 13' ' ' GLN . 2.1 mm-40 -68.45 -64.58 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.205 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -40.24 -43.47 1.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.96 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.74 -37.1 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.663 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 110.25 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 3.7 ptmt -76.12 -38.74 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 33.4 tp10 -68.73 -36.28 78.2 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.96 HG23 ' O ' ' A' ' 15' ' ' MET . 4.8 pt -80.27 -40.02 19.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.45 1.094 . . . . 0.0 109.217 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -62.37 -33.43 74.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -75.57 -57.44 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 26' ' ' GLU . 89.2 mt -58.47 -24.49 25.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.715 HD11 HG11 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -87.44 -17.75 31.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 12.7 mt-30 -107.84 -5.47 17.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 110.264 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 21' ' ' LEU . 1.5 tmt_? -115.42 -57.34 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.748 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -67.13 -19.7 65.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.815 HD11 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -86.11 178.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.634 ' HG3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -97.08 74.19 2.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.503 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.86 -52.9 0.56 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.95 -20.62 16.8 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.771 . . . . 0.0 111.024 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -72.69 -29.91 63.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 28' ' ' LYS . 6.6 mp -109.47 25.47 11.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 36.94 32.47 0.06 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 15.7 mtm -128.84 146.95 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 0.78 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.423 ' O ' ' C ' ' A' ' 36' ' ' THR . 0.0 OUTLIER -107.95 74.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 1.167 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.802 HG22 ' CD1' ' A' ' 56' ' ' PHE . 50.3 p -36.0 148.29 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.463 1.102 . . . . 0.0 110.457 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.459 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -128.62 158.36 38.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.399 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.42 87.48 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.69 17.65 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.082 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -168.72 136.19 3.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.436 1.085 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG11 ' HG3' ' A' ' 16' ' ' GLN . 5.6 p -145.83 123.7 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.233 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' C ' ' SD ' ' A' ' 43' ' ' MET . 2.0 mt-10 -138.85 123.26 18.31 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.428 1.08 . . . . 0.0 110.232 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.408 ' SD ' ' C ' ' A' ' 42' ' ' GLU . 1.5 mmm -122.44 105.28 10.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.44 ' O ' ' O ' ' A' ' 49' ' ' TYR . 19.2 m -103.83 106.02 16.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.971 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -99.88 -1.55 37.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.594 1.184 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.06 -23.64 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.198 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.2 mt -144.61 -61.14 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 162.34 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 47.7 m-85 -163.52 136.66 5.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.565 1.165 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.919 ' HB3' ' CB ' ' A' ' 95' ' ' LEU . . . -136.58 95.24 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 112.1 20.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 96' ' ' THR . 4.3 p -116.52 134.67 59.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.445 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.5 OUTLIER -90.24 149.75 22.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 111.031 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.715 HG11 HD11 ' A' ' 23' ' ' LEU . 9.8 m -153.4 120.66 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.232 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -113.23 133.3 55.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.412 1.07 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.802 ' CD1' HG22 ' A' ' 36' ' ' THR . 2.9 m-85 -121.58 167.92 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 34' ' ' MET . 7.1 tp -103.08 17.52 23.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.902 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -60.21 -32.17 70.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' HB2' ' N ' ' A' ' 103' ' ' LEU . 0.9 OUTLIER -39.78 -39.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' ASP . 10.7 mtpp -38.63 -44.0 0.94 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.03 119.88 26.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.5 tt0 -66.31 -22.53 66.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.19 -43.98 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.09 -19.75 53.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.403 1.064 . . . . 0.0 109.249 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.902 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.12 -42.88 44.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -51.14 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.98 -52.8 46.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -52.53 -62.04 6.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.571 1.169 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.0 OUTLIER -52.17 -35.52 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.279 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.94 -35.71 79.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.3 43.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.815 HD11 HD11 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.18 -19.63 64.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -84.29 -51.72 6.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 110.391 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -57.77 -33.59 68.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 110.249 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.42 13.4 10.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.485 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 44.0 p -56.57 -75.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.04 -20.32 3.14 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -74.57 -43.49 55.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 111.008 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.748 HG22 ' CD ' ' A' ' 26' ' ' GLU . 16.4 pt -71.46 -38.48 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.1 ttp85 -67.49 -48.14 67.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 110.29 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.9 m -70.18 -37.97 75.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.56 1.162 . . . . 0.0 109.939 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 1.1 tt -62.74 -34.19 76.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 79' ' ' ILE . 6.6 mt -68.31 -59.0 3.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.26 -50.83 9.5 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.522 1.139 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.67 -40.89 76.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.92 -31.58 69.96 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.48 1.113 . . . . 0.0 109.194 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.563 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.6 OUTLIER -111.45 12.68 21.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.563 ' C ' ' O ' ' A' ' 87' ' ' MET . 53.9 mtp180 22.62 75.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 89' ' ' LEU . 4.5 tp -112.43 -150.2 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.794 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.0 ptt180 -151.31 -44.31 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.0 HD12 ' HG3' ' A' ' 93' ' ' PRO . 2.2 pt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 90' ' ' ARG . 22.0 t 24.95 59.93 0.42 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 1.0 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -75.0 159.1 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.445 1.761 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.23 63.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.919 ' CB ' ' HB3' ' A' ' 50' ' ' ALA . 1.1 pp -66.4 90.7 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.497 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.7 OUTLIER -88.27 159.06 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.34 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.534 ' CE2' HD23 ' A' ' 72' ' ' LEU . 16.1 p90 -124.92 114.0 18.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -89.53 114.64 26.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.84 101.91 13.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.112 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.28 87.78 2.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -88.98 -172.14 3.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -89.63 13.96 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 110.014 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.712 HD22 HG11 ' A' ' 65' ' ' VAL . 2.0 tp -96.21 3.27 53.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 104' ' ' VAL . 6.7 t -136.57 10.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.714 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 1.8 mp0 -158.12 -38.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.04 -16.85 40.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.714 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 1.0 OUTLIER -113.13 24.68 12.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.757 . . . . 0.0 110.966 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.431 0.158 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.33 149.82 35.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -146.24 86.9 1.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -70.7 85.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 1.4 t80 -141.77 123.3 15.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.534 1.146 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -38.84 -26.52 0.05 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.554 1.158 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.45 178.0 0.21 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.417 0.716 . . . . 0.0 110.366 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -74.94 5.57 3.88 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.558 1.82 . . . . 0.0 111.041 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -38.74 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.24 -57.39 12.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.11 -41.06 85.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.08 -37.26 76.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.2 mm-40 -72.04 -65.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.245 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -39.1 -42.45 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.953 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -74.67 -39.1 62.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.665 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.7 tm0? -63.75 -33.7 76.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.24 52.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.21 -45.54 73.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 0.0 110.237 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.953 HG23 ' O ' ' A' ' 15' ' ' MET . 3.9 pt -69.57 -47.27 72.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.55 1.156 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.46 -34.9 67.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.97 -59.28 3.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 67.9 mt -59.06 -24.16 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD23 ' CG1' ' A' ' 54' ' ' VAL . 10.8 tp -86.5 -15.99 38.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -110.59 -9.48 14.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 21' ' ' LEU . 8.1 mpt_? -111.29 -59.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.883 ' OE2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -67.5 -11.67 58.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.63 HD11 ' CD1' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -89.91 179.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -102.39 72.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.572 ' CB ' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -91.11 -55.85 0.26 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD3' ' CB ' ' A' ' 29' ' ' ASP . 18.2 Cg_endo -75.01 -8.82 20.41 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -84.2 -44.04 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.247 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD23 ' OD1' ' A' ' 58' ' ' ASN . 8.9 mp -73.36 -23.62 60.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.17 14.85 46.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER -133.04 147.71 52.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 111.042 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 105.01 16.97 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.659 HG22 ' CD2' ' A' ' 56' ' ' PHE . 75.6 p -63.85 151.26 42.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.362 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.569 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.3 m -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.4 t -122.68 86.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.191 . . . . 0.0 109.214 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.98 28.68 2.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.947 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.5 137.39 3.25 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.665 HG11 ' HG3' ' A' ' 16' ' ' GLN . 11.6 p -150.46 133.28 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.443 0.731 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -140.05 121.08 14.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.662 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -122.2 104.88 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 110.998 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' TYR . 1.8 m -109.88 106.07 15.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 91' ' ' ILE . 1.9 mpp_? -101.84 -6.17 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.315 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -49.45 -23.39 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -144.28 -71.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' O ' ' CD1' ' A' ' 49' ' ' TYR . . . 171.14 73.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 27.1 m-85 -153.05 140.22 19.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -152.56 113.94 4.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 119.24 38.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG23 HG23 ' A' ' 41' ' ' VAL . 1.3 p -118.82 129.97 74.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.87 151.05 25.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' CG1' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -150.94 117.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.569 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -107.24 126.2 52.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.45 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.659 ' CD2' HG22 ' A' ' 36' ' ' THR . 3.8 m-85 -116.49 165.62 13.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.37 26.7 8.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.891 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -70.39 -31.08 68.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' LYS . 1.5 t70 -38.58 -43.3 0.85 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' ASP . 1.8 mtmt -37.86 -42.57 0.61 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.93 116.9 20.8 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 109.372 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.528 ' HG3' HD11 ' A' ' 103' ' ' LEU . 23.3 tt0 -66.95 -19.73 65.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.75 -43.71 62.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -19.43 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.891 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.68 -43.67 47.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.289 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -74.72 -52.46 11.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.08 -52.65 61.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.35 -61.65 7.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.404 1.065 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.791 HD11 ' CD2' ' A' ' 99' ' ' TYR . 8.4 tt -55.86 -29.78 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.742 . . . . 0.0 109.231 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 73' ' ' GLN . 1.0 OUTLIER -68.4 -32.35 72.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 74' ' ' GLU . . . -82.42 -45.94 14.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.652 ' HG ' ' CE2' ' A' ' 97' ' ' PHE . 23.9 tp -54.89 -36.06 64.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.218 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 19.1 pt20 -77.03 -47.87 19.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLN . 1.3 pt-20 -54.33 -20.95 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.27 17.2 21.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 48.0 t -55.48 -71.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.957 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.2 -21.02 0.96 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.0 -44.41 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 110.952 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.71 HG22 ' OE1' ' A' ' 26' ' ' GLU . 15.4 pt -70.36 -40.54 77.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.609 1.193 . . . . 0.0 109.233 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.0 ttp-105 -66.59 -47.19 73.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.213 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -71.04 -32.82 69.65 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.411 1.069 . . . . 0.0 110.01 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.883 HD13 ' OE2' ' A' ' 26' ' ' GLU . 2.5 tt -66.63 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 87' ' ' MET . 12.3 mt -69.56 -56.64 6.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -47.55 -50.3 19.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.415 1.072 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -69.75 -41.78 74.78 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.496 0.762 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.61 -30.92 70.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' ' C ' ' A' ' 88' ' ' ARG . 3.8 ttm -110.71 11.96 22.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.569 ' C ' ' O ' ' A' ' 87' ' ' MET . 1.9 mtm180 23.53 76.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.885 HD22 HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -123.74 -177.54 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.668 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.3 OUTLIER -121.36 -40.61 2.56 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.525 1.14 . . . . 0.0 110.255 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.885 HG12 HD22 ' A' ' 89' ' ' LEU . 1.1 pt -38.36 -33.8 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 90' ' ' ARG . 37.1 t 24.93 58.3 0.39 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 109.38 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.739 ' CG ' HD12 ' A' ' 91' ' ' ILE . 18.3 Cg_endo -74.99 170.3 20.72 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.571 1.827 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -68.05 62.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -68.16 87.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.15 171.0 8.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.823 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 23.2 p90 -132.96 117.55 17.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.58 118.39 30.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.823 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -87.38 109.94 19.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.553 1.158 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 105' ' ' GLU . 1.1 t70 -115.81 86.5 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -93.32 -172.54 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.411 ' HB2' ' CG ' ' A' ' 59' ' ' ASP . 0.0 OUTLIER -90.86 11.94 21.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.699 HD22 HG11 ' A' ' 65' ' ' VAL . 1.1 tp -97.33 -1.36 44.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.7 t -131.27 -1.12 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.535 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 2.8 mt-10 -141.08 -39.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.241 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.58 -9.43 64.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.535 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.8 OUTLIER -123.41 26.43 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 110.988 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.497 ' HD3' ' CG ' ' A' ' 105' ' ' GLU . 4.2 mpt_? . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.521 0.2 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.1 175.62 12.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' CB ' ' HG3' ' A' ' 13' ' ' GLN . 4.8 tptt -94.82 87.1 4.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.553 1.158 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.5 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.9 OUTLIER -144.27 118.03 9.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -36.79 -28.08 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.622 1.201 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -59.36 177.77 0.25 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.1 Cg_endo -75.13 5.42 4.06 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -36.01 47.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.235 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -58.53 -53.95 52.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 15' ' ' MET . 1.0 OUTLIER -65.62 -40.84 89.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.647 ' HB1' ' HE1' ' A' ' 43' ' ' MET . . . -57.62 -40.24 78.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 16' ' ' GLN . 21.6 mm-40 -71.18 -71.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.11 -32.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.235 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.931 ' O ' HG23 ' A' ' 19' ' ' ILE . 35.6 mtp -79.82 -43.05 23.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.779 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.9 tm0? -63.35 -35.74 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -40.95 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -67.68 -40.44 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.931 HG23 ' O ' ' A' ' 15' ' ' MET . 5.3 pt -75.46 -49.4 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -54.35 -33.71 59.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.402 1.063 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -70.79 -59.64 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.407 1.067 . . . . 0.0 109.279 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.58 ' CG2' HD23 ' A' ' 82' ' ' LEU . 43.0 mt -58.52 -25.1 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 10.4 tp -88.29 -15.95 34.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 31.9 mt-30 -109.19 -6.2 15.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 21' ' ' LEU . 27.5 mtp85 -115.59 -54.58 2.51 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -70.6 -15.62 62.77 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.527 1.142 . . . . 0.0 110.24 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.833 ' CG1' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -85.4 -178.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.642 ' HB3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -85.29 74.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.349 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.528 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -94.47 -53.4 0.24 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.401 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.528 ' HD3' ' HB3' ' A' ' 29' ' ' ASP . 18.3 Cg_endo -74.93 -30.53 7.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.504 1.792 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -70.09 -60.19 2.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.243 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -59.1 -27.55 65.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.88 41.1 8.94 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.508 ' HE1' ' HA ' ' A' ' 58' ' ' ASN . 11.8 mtt -146.62 -174.31 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.45 82.4 2.03 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.177 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 56' ' ' PHE . 69.4 p -45.65 145.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' VAL . 1.4 m -124.59 161.9 25.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.403 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 38' ' ' VAL . 3.9 p -118.8 90.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.17 29.74 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -173.7 135.86 3.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.779 HG11 ' HG3' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -144.62 121.25 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.322 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LYS . 24.6 mt-10 -133.96 95.2 3.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.647 ' HE1' ' HB1' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -104.01 102.61 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 111.102 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.457 ' O ' ' O ' ' A' ' 49' ' ' TYR . 3.1 m -113.73 105.49 13.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.972 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.598 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -101.27 -0.36 35.89 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.81 -22.26 2.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.688 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.12 -62.76 0.35 Allowed 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.404 1.065 . . . . 0.0 109.284 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.22 77.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.358 1.036 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.614 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 35.0 m-85 -157.59 137.7 12.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.172 . . . . 0.0 110.995 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.996 ' CB ' HD12 ' A' ' 95' ' ' LEU . . . -145.52 95.22 2.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.609 ' HA ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -90.26 104.01 16.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 96' ' ' THR . 0.5 OUTLIER -102.79 152.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.527 ' OH ' ' CB ' ' A' ' 100' ' ' ASP . 14.6 t80 -107.6 153.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 98' ' ' PHE . 0.0 OUTLIER -155.72 121.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.604 1.19 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.12 121.8 40.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.388 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.589 ' CE1' ' HB ' ' A' ' 54' ' ' VAL . 2.0 m-85 -112.75 153.13 28.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.412 ' C ' ' SD ' ' A' ' 34' ' ' MET . 18.1 tp -90.04 16.05 9.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.869 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -54.16 -28.36 39.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' CG ' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -39.49 -36.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -39.97 -47.6 2.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.24 122.68 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.238 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.3 tm-20 -67.3 -23.14 65.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.05 -42.75 69.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.33 -18.81 48.05 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.397 1.061 . . . . 0.0 109.34 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.869 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -73.37 -44.2 55.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -74.85 -51.6 13.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.372 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -53.48 55.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -53.15 -60.91 7.48 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.407 1.067 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.516 HD11 ' CD2' ' A' ' 99' ' ' TYR . 7.8 tt -55.29 -27.98 21.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -70.33 -33.42 71.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 74' ' ' GLU . . . -74.11 -44.64 53.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 0.0 109.253 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.833 HD13 ' CG1' ' A' ' 27' ' ' ILE . 2.0 tp -72.21 -19.75 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -77.59 -45.8 24.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.251 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -71.26 -27.36 63.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.342 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -90.03 14.75 11.5 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.51 ' HB2' ' CE1' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -55.85 -75.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.82 -18.23 4.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -76.01 -42.62 47.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 0.791 . . . . 0.0 110.995 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 83' ' ' LEU . 14.5 pt -71.18 -39.36 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -66.23 -46.3 77.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t -73.95 -33.35 63.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.58 HD23 ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -65.61 -33.77 76.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 95' ' ' LEU . 4.8 mt -71.65 -57.02 4.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -47.32 -46.38 21.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -74.23 -41.47 61.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.18 -30.3 69.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.572 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.4 ttm -112.42 12.34 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.572 ' C ' ' O ' ' A' ' 87' ' ' MET . 8.4 mtt85 22.72 76.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.8 tp -114.5 -151.62 0.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.589 ' O ' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -149.92 -43.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.885 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -39.81 -29.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.1 t 25.51 59.42 0.45 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.885 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.4 Cg_endo -74.96 167.01 28.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.541 1.811 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -67.84 62.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.996 HD12 ' CB ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -65.79 86.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.248 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.63 ' O ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -89.01 168.26 12.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.423 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.741 ' CE2' ' CE1' ' A' ' 99' ' ' TYR . 11.2 p90 -131.04 113.4 13.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.595 ' O ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -90.94 113.75 26.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.741 ' CE1' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.02 99.78 12.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.966 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' CB ' ' OH ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -111.76 87.09 2.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.481 HD21 HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -88.68 -171.02 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.431 ' OG ' ' CG ' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -88.83 12.77 14.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.046 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.658 HD22 HG11 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -93.41 1.89 56.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 2.2 t -133.96 1.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.512 ' HB3' ' CE ' ' A' ' 107' ' ' MET . 3.9 mt-10 -145.92 -36.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 102' ' ' SER . . . 92.28 -34.05 4.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.512 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -136.43 26.79 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 0.734 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.423 ' HA ' ' OE1' ' A' ' 105' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.585 0.231 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.59 127.54 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.42 1.075 . . . . 0.0 109.267 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -148.28 86.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -92.88 86.58 5.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -143.07 134.3 25.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -40.73 -24.3 0.08 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.435 1.085 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' CB ' ' CD ' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -57.23 178.52 0.16 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.6 Cg_endo -75.01 5.02 4.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -78.4 -40.64 35.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -57.63 -61.12 2.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -42.77 43.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.408 1.067 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.466 ' HA ' ' HE2' ' A' ' 43' ' ' MET . . . -61.02 -36.96 80.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 21.2 mm-40 -71.04 -64.63 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -39.9 -41.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.58 1.175 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.956 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -73.54 -39.74 64.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.826 ' HG3' HG11 ' A' ' 41' ' ' VAL . 1.8 tm0? -64.31 -34.05 77.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -75.65 -40.26 56.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 8.0 tp10 -68.25 -41.11 81.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.956 HG23 ' O ' ' A' ' 15' ' ' MET . 4.1 pt -74.29 -44.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -56.32 -35.02 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -70.47 -59.99 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.816 HG21 HD22 ' A' ' 82' ' ' LEU . 69.3 mt -58.78 -20.78 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.343 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.813 HD11 HG11 ' A' ' 54' ' ' VAL . 0.6 OUTLIER -86.66 -18.05 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -111.34 -7.43 14.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -112.65 -60.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' HB3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -65.58 -20.69 66.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.026 ' CD1' HD11 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -80.93 175.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.626 ' HZ3' ' HA ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.0 72.14 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.566 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -88.04 -48.35 0.45 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -75.06 -14.56 20.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.388 1.731 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -83.68 -49.12 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 28' ' ' LYS . 2.2 mp -70.7 -23.52 62.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 84.31 34.1 18.13 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -137.87 167.06 22.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.52 0.776 . . . . 0.0 111.078 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.4 ttp -115.7 73.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.721 HG22 ' CD1' ' A' ' 56' ' ' PHE . 63.3 p -38.82 158.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.619 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.7 m -138.67 165.22 27.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 37' ' ' THR . 71.1 t -124.61 83.72 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.18 22.56 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -172.1 136.47 3.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.826 HG11 ' HG3' ' A' ' 16' ' ' GLN . 7.4 p -151.71 136.0 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -148.12 134.76 19.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 110.214 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -134.19 108.43 8.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -105.2 107.24 18.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.488 ' HG2' HD13 ' A' ' 91' ' ' ILE . 1.8 mpp_? -101.36 -4.42 27.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -50.25 -22.77 1.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -145.88 -66.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.372 1.045 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 163.58 60.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.621 ' CD1' ' O ' ' A' ' 48' ' ' ALA . 5.1 m-85 -146.82 130.19 16.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 95' ' ' LEU . . . -137.33 156.34 48.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.61 112.53 7.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.29 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG21 HD12 ' A' ' 19' ' ' ILE . 2.0 p -109.91 123.19 65.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.424 ' C ' HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -81.93 150.03 27.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 111.069 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.813 HG11 HD11 ' A' ' 23' ' ' LEU . 6.5 m -152.16 119.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.634 1.209 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.619 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -109.88 130.72 55.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.721 ' CD1' HG22 ' A' ' 36' ' ' THR . 5.4 m-85 -119.38 169.41 10.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.0 tp -109.3 27.59 9.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.194 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.867 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -71.79 -29.2 64.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' LYS . 2.1 t70 -39.32 -43.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' ASP . 4.6 mttt -37.73 -43.72 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.46 117.42 22.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.515 1.135 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.5 tt0 -66.69 -20.37 65.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.226 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -43.57 64.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.06 -19.89 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.182 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.867 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -75.14 -39.93 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -52.35 10.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.4 -48.9 71.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.95 -61.08 7.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.527 HG22 ' O ' ' A' ' 65' ' ' VAL . 1.1 tt -53.73 -34.2 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -35.47 80.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.612 1.195 . . . . 0.0 109.232 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.09 -40.07 68.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 109.342 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.026 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -72.66 -19.33 61.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.9 -47.99 17.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 75' ' ' ALA . 1.3 pt-20 -68.88 -30.63 69.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 110.247 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 74' ' ' GLU . . . -91.28 18.54 6.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 4.1 t -63.1 -74.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.91 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.5 -19.06 2.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.544 1.153 . . . . 0.0 111.027 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -75.33 -44.51 44.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.724 . . . . 0.0 111.07 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.5 ' CG1' ' O ' ' A' ' 76' ' ' SER . 15.1 pt -68.69 -37.82 78.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.331 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HA ' HD12 ' A' ' 83' ' ' LEU . 6.4 ttt-85 -66.87 -45.76 77.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -70.78 -34.85 72.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.841 ' O ' HD23 ' A' ' 82' ' ' LEU . 4.3 tt -64.48 -37.63 88.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.9 mt -66.72 -64.35 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -41.42 -52.63 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.628 1.205 . . . . 0.0 111.047 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 mtmt -67.26 -40.06 86.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 0.807 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -59.09 -33.59 71.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.611 1.195 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.579 ' O ' ' C ' ' A' ' 88' ' ' ARG . 7.8 ptp -110.51 12.32 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.579 ' C ' ' O ' ' A' ' 87' ' ' MET . 3.3 mtt180 22.9 74.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.751 HD23 ' CG1' ' A' ' 91' ' ' ILE . 2.5 tp -112.08 -152.68 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.584 ' O ' HG23 ' A' ' 92' ' ' VAL . 28.4 ptt180 -146.26 -45.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 93' ' ' PRO . 1.3 pt -40.65 -29.95 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.588 ' C ' ' O ' ' A' ' 91' ' ' ILE . 48.7 t 23.4 61.08 0.36 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.903 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.0 Cg_endo -75.04 159.36 41.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 50' ' ' ALA . 4.6 tt0 -68.2 59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.403 1.064 . . . . 0.0 110.282 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -69.49 87.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 ' O ' HG12 ' A' ' 52' ' ' VAL . 2.7 t -79.97 165.94 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 97' ' ' PHE . 14.2 p90 -124.94 108.91 12.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.05 114.15 25.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.545 ' CE2' ' CE2' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -86.92 100.81 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.163 . . . . 0.0 111.048 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.46 91.75 4.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.442 ' C ' ' HB2' ' A' ' 108' ' ' ARG . 0.4 OUTLIER -93.24 -174.54 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.434 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -85.84 12.66 8.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.923 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.506 HD22 HG11 ' A' ' 65' ' ' VAL . 2.8 tp -95.3 0.49 53.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 104' ' ' VAL . 27.7 t -140.05 7.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.518 ' CB ' ' HE2' ' A' ' 107' ' ' MET . 4.3 mm-40 -148.45 -37.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.071 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.68 -39.21 3.11 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.571 1.169 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE2' ' CB ' ' A' ' 105' ' ' GLU . 1.2 ptp -87.31 15.32 6.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 0.761 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HB2' ' C ' ' A' ' 101' ' ' ASN . 10.0 mmt-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 110.323 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtm . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.4 0.143 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.32 -171.66 2.44 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.168 . . . . 0.0 109.264 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 19.4 tptp -133.94 87.35 2.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -85.26 85.12 7.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.606 ' CD2' ' HB2' ' A' ' 7' ' ' ARG . 2.0 t80 -137.65 128.46 27.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' PHE . . . -37.07 -28.71 0.02 OUTLIER Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.606 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 3.1 mtt-85 -56.1 178.31 0.13 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.576 0.809 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 7' ' ' ARG . 18.4 Cg_endo -75.04 4.92 4.33 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -77.16 -38.53 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -59.79 -42.5 93.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.402 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.17 -34.23 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.05 92.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 16' ' ' GLN . 8.4 mm-40 -69.34 -65.7 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.255 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -42.04 1.69 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.954 ' O ' HG23 ' A' ' 19' ' ' ILE . 90.8 mtp -74.86 -37.08 62.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.875 ' CG ' HG21 ' A' ' 41' ' ' VAL . 1.9 tm0? -64.54 -36.06 83.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' GLU . 7.0 pttt -77.5 -37.8 50.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 1.3 tp10 -68.12 -43.82 77.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.954 HG23 ' O ' ' A' ' 15' ' ' MET . 3.4 pt -74.01 -43.15 52.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.344 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 16' ' ' GLN . . . -58.8 -33.71 70.66 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -71.57 -56.67 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.595 ' CG2' ' CD2' ' A' ' 82' ' ' LEU . 76.2 mt -58.89 -23.62 24.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD23 HG11 ' A' ' 54' ' ' VAL . 12.6 tp -86.61 -15.24 40.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -110.99 -9.04 14.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 110.342 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' LEU . 11.5 mmt180 -113.63 -59.06 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.877 ' HG2' HD22 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -66.59 -19.56 65.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.716 HD11 HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -81.7 178.21 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -98.95 71.96 1.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.532 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -89.86 -51.15 0.35 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 109.267 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 29' ' ' ASP . 18.1 Cg_endo -74.96 -6.21 17.78 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.434 1.755 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HB3' ' HB2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -98.45 -15.25 19.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.648 1.218 . . . . 0.0 110.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 28' ' ' LYS . 22.1 mt -88.24 -24.74 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' C ' ' SD ' ' A' ' 34' ' ' MET . . . 90.66 23.16 31.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.405 ' CE ' ' HA ' ' A' ' 58' ' ' ASN . 4.0 mpp? -153.07 175.02 13.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 0.732 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.49 125.97 54.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.727 HG22 ' CD1' ' A' ' 56' ' ' PHE . 41.3 p -88.27 168.21 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 110.35 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.542 ' HB ' HG23 ' A' ' 55' ' ' THR . 1.5 m -143.63 166.28 25.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.711 ' O ' HG13 ' A' ' 38' ' ' VAL . 8.9 p -126.56 86.48 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.39 28.79 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.045 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' O ' HG23 ' A' ' 41' ' ' VAL . . . 177.35 138.94 3.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.932 HG22 HG23 ' A' ' 52' ' ' VAL . 3.2 t -151.69 148.47 14.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.595 0.821 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.8 mt-10 -155.29 131.95 10.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.437 ' HE1' ' HB3' ' A' ' 15' ' ' MET . 0.0 OUTLIER -135.22 107.51 7.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.981 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.767 ' CB ' ' CE2' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -106.24 107.23 18.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.847 ' HD2' HD13 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -101.55 -0.46 34.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.48 -15.75 40.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -144.36 -70.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 47' ' ' LEU . . . 160.5 56.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.767 ' CE2' ' CB ' ' A' ' 44' ' ' SER . 51.5 p90 -152.09 130.41 12.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 95' ' ' LEU . . . -139.25 151.31 46.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -133.95 122.37 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.932 HG23 HG22 ' A' ' 41' ' ' VAL . 1.9 p -118.02 127.64 75.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.642 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -85.05 144.21 28.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 111.048 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.765 HG11 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.41 118.47 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.542 HG23 ' HB ' ' A' ' 37' ' ' THR . 0.1 OUTLIER -105.57 129.7 53.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.383 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.727 ' CD1' HG22 ' A' ' 36' ' ' THR . 4.8 m-85 -118.87 167.09 12.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -100.05 16.0 25.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.857 ' HB3' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -60.28 -33.58 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.447 ' HB3' ' OG ' ' A' ' 102' ' ' SER . 1.0 OUTLIER -38.12 -43.57 0.76 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.362 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 59' ' ' ASP . 3.8 mtpt -39.31 -41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.3 OUTLIER -127.76 118.62 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -67.84 -19.8 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.25 -43.75 55.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.187 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.27 -21.47 49.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.857 HG23 ' HB3' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -74.63 -42.68 48.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -72.07 -58.2 3.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 1.064 . . . . 0.0 109.35 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.54 44.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.61 5.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.152 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.221 HD11 ' CD1' ' A' ' 99' ' ' TYR . 4.4 tt -57.73 -28.33 32.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -68.58 -29.88 68.51 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.58 -41.53 38.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.716 HD22 HD11 ' A' ' 27' ' ' ILE . 69.0 mt -65.41 -29.88 70.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -79.03 -48.02 15.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' N ' ' CG ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -63.66 -20.57 65.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -110.83 20.1 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.455 ' O ' ' CG1' ' A' ' 79' ' ' ILE . 71.4 m -54.51 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.06 -23.15 1.03 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.492 1.12 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' CB ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -72.47 -44.92 61.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 0.775 . . . . 0.0 111.046 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.749 HG22 ' OE2' ' A' ' 26' ' ' GLU . 16.5 pt -71.91 -40.87 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 83' ' ' LEU . 1.7 ttp85 -66.69 -48.47 69.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.5 t -69.29 -34.14 74.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.877 HD22 ' HG2' ' A' ' 26' ' ' GLU . 6.5 tt -65.0 -34.81 79.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 79' ' ' ILE . 5.1 mt -69.23 -58.15 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' ARG . . . -45.94 -51.01 11.31 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.563 1.164 . . . . 0.0 111.062 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -69.07 -41.23 77.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.345 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 82' ' ' LEU . . . -60.47 -31.13 70.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.418 1.074 . . . . 0.0 109.239 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.559 ' O ' ' C ' ' A' ' 88' ' ' ARG . 4.0 ttm -110.9 11.43 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.56 1.162 . . . . 0.0 110.951 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.559 ' C ' ' O ' ' A' ' 87' ' ' MET . 29.7 mtt85 23.61 76.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 110.295 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD23 ' CG1' ' A' ' 91' ' ' ILE . 4.1 tp -116.41 -153.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 92' ' ' VAL . 3.8 ttt180 -145.76 -45.24 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.847 HD13 ' HD2' ' A' ' 45' ' ' ARG . 1.2 pt -42.3 -31.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 90' ' ' ARG . 26.1 t 24.59 60.24 0.41 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.182 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.789 ' HG3' HD12 ' A' ' 91' ' ' ILE . 18.6 Cg_endo -74.94 160.95 39.71 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.491 1.785 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.445 ' O ' ' O ' ' A' ' 50' ' ' ALA . 2.4 tt0 -66.46 59.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -68.41 90.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 52' ' ' VAL . 1.2 t -90.46 163.04 14.8 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.357 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 79' ' ' ILE . 21.1 p90 -122.38 112.5 18.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.92 115.2 27.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 1.221 ' CD1' HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -83.81 104.69 14.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -108.63 87.53 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.608 1.192 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' ARG . 3.9 m-20 -94.58 -175.06 3.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.453 ' OG ' ' C ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -83.24 10.65 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.946 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.592 HD22 HG11 ' A' ' 65' ' ' VAL . 1.5 tp -93.1 2.58 56.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.62 ' CG1' ' O ' ' A' ' 104' ' ' VAL . 1.4 t -138.09 9.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.821 ' HB3' ' HE2' ' A' ' 107' ' ' MET . 6.2 mt-10 -155.14 -37.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.86 -35.21 4.06 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.821 ' HE2' ' HB3' ' A' ' 105' ' ' GLU . 2.1 ptp -90.03 10.49 23.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 0.735 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.453 ' C ' ' OG ' ' A' ' 102' ' ' SER . 12.6 mmt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.26 -179.977 . . . . . . . . 1 1 . 1 stop_ save_